N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

C23H21F7N2O2 — CID 25318490

IUPACN-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21F7N2O2/c24-16-11-9-14(10-12-16)19(20(33)31-17-6-2-1-3-7-17)32(21(34)23(28,29)30)18-8-4-5-15(13-18)22(25,26)27/h4-5,8-13,17,19H,1-3,6-7H2,(H,31,33)/t19-/m0/s1
InChIKeyDEAPADYKIRHGMS-IBGZPJMESA-N
MW490.42 g/mol
LogP5.93
Rot. Bonds5

About N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25318490) has the molecular formula C23H21F7N2O2 and a molecular weight of 490.42 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID25318490
Molecular FormulaC23H21F7N2O2
Molecular Weight490.42 g/mol
Exact Mass490.15
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21F7N2O2/c24-16-11-9-14(10-12-16)19(20(33)31-17-6-2-1-3-7-17)32(21(34)23(28,29)30)18-8-4-5-15(13-18)22(25,26)27/h4-5,8-13,17,19H,1-3,6-7H2,(H,31,33)/t19-/m0/s1
InChIKeyDEAPADYKIRHGMS-IBGZPJMESA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241186
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546043
4-[1-[N-(2-aminoacetyl)-3-(trifluoromethyl)anilino]-2-(cyclohexylamino)-2-oxoethyl]benzoic acid
CID 161254273
N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546045
N-[1-(2-chloro-4-fluorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241204
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(3-fluorophenyl)acetamide
CID 3216424
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458374
N-[2-(cyclohexylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241176
N'-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 98101912
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1083904
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180649

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (CID 25318490) is N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DEAPADYKIRHGMS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21F7N2O2/c24-16-11-9-14(10-12-16)19(20(33)31-17-6-2-1-3-7-17)32(21(34)23(28,29)30)18-8-4-5-15(13-18)22(25,26)27/h4-5,8-13,17,19H,1-3,6-7H2,(H,31,33)/t19-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 490.42 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25318490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).