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

C14H12BrClN2O — CID 107997499

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

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

N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide (PubChem CID 107997499) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
PubChem CID107997499
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
SMILESCc1c(N)cccc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-12(17)3-2-4-13(8)18-14(19)9-5-6-11(16)10(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUWVJPMJVULVDGE-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

3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide (CID 107997499) is N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide is Cc1c(N)cccc1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide?
The InChIKey is UWVJPMJVULVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-12(17)3-2-4-13(8)18-14(19)9-5-6-11(16)10(15)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide?
N-(3-amino-2-methylphenyl)-3-bromo-4-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 N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 107997499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).