N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride

C14H19BrClFN2O — CID 119404145

IUPACN-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C14H18BrFN2O.ClH/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);1H
InChIKeyICRINGPCNHOJLA-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.40
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride (PubChem CID 119404145) has the molecular formula C14H19BrClFN2O and a molecular weight of 365.67 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
PubChem CID119404145
Molecular FormulaC14H19BrClFN2O
Molecular Weight365.67 g/mol
Exact Mass364.04
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C14H18BrFN2O.ClH/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);1H
InChIKeyICRINGPCNHOJLA-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride 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]-5-bromo-2-fluorobenzamide
CID 119404297
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride (CID 119404145) is N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride is Cl.NC1(CNC(=O)c2ccc(Br)cc2F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride?
The InChIKey is ICRINGPCNHOJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O.ClH/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);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride has a molecular weight of 365.67 g/mol, XLogP of 3.40, 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-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119404145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).