cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide

C18H22F3N3O — CID 161207989

IUPACcis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1cc2c(c(C(F)(F)F)c1)CC(CNC(=O)[C@H]1CCCC[C@H]1N)=N2
InChIInChI=1S/C18H22F3N3O/c1-10-6-14(18(19,20)21)13-8-11(24-16(13)7-10)9-23-17(25)12-4-2-3-5-15(12)22/h6-7,12,15H,2-5,8-9,22H2,1H3,(H,23,25)/t12-,15+/m0/s1
InChIKeyUVVZDNWFYVTGAE-SWLSCSKDSA-N
MW353.39 g/mol
LogP3.28
Rot. Bonds3

About cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide

cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 161207989) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID161207989
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Namecis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1cc2c(c(C(F)(F)F)c1)CC(CNC(=O)[C@H]1CCCC[C@H]1N)=N2
InChIInChI=1S/C18H22F3N3O/c1-10-6-14(18(19,20)21)13-8-11(24-16(13)7-10)9-23-17(25)12-4-2-3-5-15(12)22/h6-7,12,15H,2-5,8-9,22H2,1H3,(H,23,25)/t12-,15+/m0/s1
InChIKeyUVVZDNWFYVTGAE-SWLSCSKDSA-N
XLogP3.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
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cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 90261878
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
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2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
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2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]cyclohexane-1-carboxamide
CID 103814332
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 64822050

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide (CID 161207989) is cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide is Cc1cc2c(c(C(F)(F)F)c1)CC(CNC(=O)[C@H]1CCCC[C@H]1N)=N2.
What is the InChIKey of cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is UVVZDNWFYVTGAE-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-10-6-14(18(19,20)21)13-8-11(24-16(13)7-10)9-23-17(25)12-4-2-3-5-15(12)22/h6-7,12,15H,2-5,8-9,22H2,1H3,(H,23,25)/t12-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide?
cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N-[[6-methyl-4-(trifluoromethyl)-3H-indol-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 161207989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).