4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide

C22H26ClF3N2O — CID 70296565

IUPAC4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(C(=O)NCC2C=CC=CC2C(F)(F)F)CC1
InChIInChI=1S/C22H26ClF3N2O/c23-18-6-3-5-17(12-18)21(14-27)10-8-15(9-11-21)20(29)28-13-16-4-1-2-7-19(16)22(24,25)26/h1-7,12,15-16,19H,8-11,13-14,27H2,(H,28,29)
InChIKeyGKYLNOOPUZXJDH-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.76
Rot. Bonds5

About 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 70296565) has the molecular formula C22H26ClF3N2O and a molecular weight of 426.91 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID70296565
Molecular FormulaC22H26ClF3N2O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC Name4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(C(=O)NCC2C=CC=CC2C(F)(F)F)CC1
InChIInChI=1S/C22H26ClF3N2O/c23-18-6-3-5-17(12-18)21(14-27)10-8-15(9-11-21)20(29)28-13-16-4-1-2-7-19(16)22(24,25)26/h1-7,12,15-16,19H,8-11,13-14,27H2,(H,28,29)
InChIKeyGKYLNOOPUZXJDH-UHFFFAOYSA-N
XLogP4.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788
4-(3-chlorophenyl)-4-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 70297627
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
(Z)-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-imino-4-piperidin-1-ylbut-2-enamide
CID 143705982
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 71184328
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
CID 115043423

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide (CID 70296565) is 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide is NCC1(c2cccc(Cl)c2)CCC(C(=O)NCC2C=CC=CC2C(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is GKYLNOOPUZXJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N2O/c23-18-6-3-5-17(12-18)21(14-27)10-8-15(9-11-21)20(29)28-13-16-4-1-2-7-19(16)22(24,25)26/h1-7,12,15-16,19H,8-11,13-14,27H2,(H,28,29).
What are the key properties of 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(3-chlorophenyl)-N-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70296565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).