N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide

C14H18BrClN2O — CID 119404679

IUPACN-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
SMILESNC1(CNC(=O)c2ccc(Br)cc2Cl)CCCCC1
InChIInChI=1S/C14H18BrClN2O/c15-10-4-5-11(12(16)8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyHVFSBMCIJVFJPN-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.49
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide

N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide (PubChem CID 119404679) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
PubChem CID119404679
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
SMILESNC1(CNC(=O)c2ccc(Br)cc2Cl)CCCCC1
InChIInChI=1S/C14H18BrClN2O/c15-10-4-5-11(12(16)8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyHVFSBMCIJVFJPN-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide 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

N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 119404145
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
CID 119404297
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
CID 171678638
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide (CID 119404679) is N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide is NC1(CNC(=O)c2ccc(Br)cc2Cl)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide?
The InChIKey is HVFSBMCIJVFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-10-4-5-11(12(16)8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide?
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide has a molecular weight of 345.67 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 119404679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).