4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide

C14H12BrClN2O — CID 107623927

IUPAC4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-10(15)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFBVZAHWCIQKFTQ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide

4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide (PubChem CID 107623927) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
PubChem CID107623927
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-10(15)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFBVZAHWCIQKFTQ-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide?
The IUPAC name of 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide (CID 107623927) is 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide.
What is the SMILES notation for 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide?
The canonical SMILES for 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide is Cc1c(Br)cccc1NC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide?
The InChIKey is FBVZAHWCIQKFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-10(15)3-2-4-13(8)18-14(19)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide?
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 107623927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).