N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide

C15H20ClFN2O — CID 82880142

IUPACN-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(Cl)c1)C1CCCCC1CN
InChIInChI=1S/C15H20ClFN2O/c1-19(14-5-3-2-4-11(14)9-18)15(20)10-6-7-13(17)12(16)8-10/h6-8,11,14H,2-5,9,18H2,1H3
InChIKeyHXSTVZBVZYTPEH-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.07
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide

N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide (PubChem CID 82880142) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
PubChem CID82880142
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(Cl)c1)C1CCCCC1CN
InChIInChI=1S/C15H20ClFN2O/c1-19(14-5-3-2-4-11(14)9-18)15(20)10-6-7-13(17)12(16)8-10/h6-8,11,14H,2-5,9,18H2,1H3
InChIKeyHXSTVZBVZYTPEH-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide (CID 82880142) is N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)c(Cl)c1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is HXSTVZBVZYTPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-19(14-5-3-2-4-11(14)9-18)15(20)10-6-7-13(17)12(16)8-10/h6-8,11,14H,2-5,9,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 298.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 82880142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).