4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

C16H22F2N2O — CID 79512301

IUPAC4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H22F2N2O/c1-20(10-12-4-7-14(17)15(18)8-12)16(21)13-5-2-11(9-19)3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,19H2,1H3
InChIKeyRVZKKGJOCZNRSR-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.69
Rot. Bonds4

About 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 79512301) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID79512301
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H22F2N2O/c1-20(10-12-4-7-14(17)15(18)8-12)16(21)13-5-2-11(9-19)3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,19H2,1H3
InChIKeyRVZKKGJOCZNRSR-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
CID 146136290
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79510878
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
CID 126677135
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide
CID 75264161

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 79512301) is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is RVZKKGJOCZNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-20(10-12-4-7-14(17)15(18)8-12)16(21)13-5-2-11(9-19)3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79512301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).