(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide

C72H82F21N7O4 — CID 159087768

IUPAC(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(NC(=O)C1CCCC[C@@H]1N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(C)(C)NC(=O)C2CCCCN2)c1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)CN1
InChIInChI=1S/C20H18F6N2O.C18H22F6N2O.C17H19F6NO.C17H23F3N2O/c21-19(22,23)15-6-12(7-16(9-15)20(24,25)26)10-28-18(29)17-8-14(11-27-17)13-4-2-1-3-5-13;1-16(2,26-15(27)13-5-3-4-6-14(13)25)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24;1-15(2,24-14(25)10-5-3-4-6-10)11-7-12(16(18,19)20)9-13(8-11)17(21,22)23;1-11-8-12(10-13(9-11)17(18,19)20)16(2,3)22-15(23)14-6-4-5-7-21-14/h1-7,9,14,17,27H,8,10-11H2,(H,28,29);7-9,13-14H,3-6,25H2,1-2H3,(H,26,27);7-10H,3-6H2,1-2H3,(H,24,25);8-10,14,21H,4-7H2,1-3H3,(H,22,23)/t14-,17+;13?,14-;;/m10../s1
InChIKeyKBQVKBFWKKQHTP-LUZMZXAUSA-N
MW1508.45 g/mol
LogP17.85
Rot. Bonds13

About (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide

(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide (PubChem CID 159087768) has the molecular formula C72H82F21N7O4 and a molecular weight of 1508.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide
PubChem CID159087768
Molecular FormulaC72H82F21N7O4
Molecular Weight1508.45 g/mol
Exact Mass1507.61
IUPAC Name(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(NC(=O)C1CCCC[C@@H]1N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(C)(C)NC(=O)C2CCCCN2)c1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)CN1
InChIInChI=1S/C20H18F6N2O.C18H22F6N2O.C17H19F6NO.C17H23F3N2O/c21-19(22,23)15-6-12(7-16(9-15)20(24,25)26)10-28-18(29)17-8-14(11-27-17)13-4-2-1-3-5-13;1-16(2,26-15(27)13-5-3-4-6-14(13)25)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24;1-15(2,24-14(25)10-5-3-4-6-10)11-7-12(16(18,19)20)9-13(8-11)17(21,22)23;1-11-8-12(10-13(9-11)17(18,19)20)16(2,3)22-15(23)14-6-4-5-7-21-14/h1-7,9,14,17,27H,8,10-11H2,(H,28,29);7-9,13-14H,3-6,25H2,1-2H3,(H,26,27);7-10H,3-6H2,1-2H3,(H,24,25);8-10,14,21H,4-7H2,1-3H3,(H,22,23)/t14-,17+;13?,14-;;/m10../s1
InChIKeyKBQVKBFWKKQHTP-LUZMZXAUSA-N
XLogP17.85
TPSA166.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.45
LogP ≤ 517.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
trans-(1S,2S)-2-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide
CID 134452329
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide (CID 159087768) is (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide is CC(C)(NC(=O)C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)(NC(=O)C1CCCC[C@@H]1N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(C)(C)NC(=O)C2CCCCN2)c1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)CN1.
What is the InChIKey of (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide?
The InChIKey is KBQVKBFWKKQHTP-LUZMZXAUSA-N. The full InChI is InChI=1S/C20H18F6N2O.C18H22F6N2O.C17H19F6NO.C17H23F3N2O/c21-19(22,23)15-6-12(7-16(9-15)20(24,25)26)10-28-18(29)17-8-14(11-27-17)13-4-2-1-3-5-13;1-16(2,26-15(27)13-5-3-4-6-14(13)25)10-7-11(17(19,20)21)9-12(8-10)18(22,23)24;1-15(2,24-14(25)10-5-3-4-6-10)11-7-12(16(18,19)20)9-13(8-11)17(21,22)23;1-11-8-12(10-13(9-11)17(18,19)20)16(2,3)22-15(23)14-6-4-5-7-21-14/h1-7,9,14,17,27H,8,10-11H2,(H,28,29);7-9,13-14H,3-6,25H2,1-2H3,(H,26,27);7-10H,3-6H2,1-2H3,(H,24,25);8-10,14,21H,4-7H2,1-3H3,(H,22,23)/t14-,17+;13?,14-;;/m10../s1.
What are the key properties of (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide?
(2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide has a molecular weight of 1508.45 g/mol, XLogP of 17.85, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclohexane-1-carboxamide;(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidine-2-carboxamide;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]cyclopentanecarboxamide;N-[2-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 159087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).