N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide

C14H12BrClN2O — CID 81295178

IUPACN-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
SMILESNCc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,8,17H2,(H,18,19)
InChIKeyCJJCSUCTDJOBMS-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.81
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide

N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide (PubChem CID 81295178) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
PubChem CID81295178
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
SMILESNCc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,8,17H2,(H,18,19)
InChIKeyCJJCSUCTDJOBMS-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
CID 63754296
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
4-bromo-3-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 81296027
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide (CID 81295178) is N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide is NCc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide?
The InChIKey is CJJCSUCTDJOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide?
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide has a molecular weight of 339.62 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81295178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).