2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide

C14H10BrCl2NO — CID 107993837

IUPAC2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO/c15-13-7-10(17)3-6-12(13)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19)
InChIKeyKGQZXVVUXDEUKF-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.09
Rot. Bonds3

About 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide

2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide (PubChem CID 107993837) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
PubChem CID107993837
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO/c15-13-7-10(17)3-6-12(13)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19)
InChIKeyKGQZXVVUXDEUKF-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide (CID 107993837) is 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide is O=C(Nc1ccc(CCl)cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide?
The InChIKey is KGQZXVVUXDEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-13-7-10(17)3-6-12(13)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide?
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide has a molecular weight of 359.05 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 107993837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).