N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide

C14H12BrClN2O2 — CID 91687665

IUPACN-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRGRMMKVOVOUYHE-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide

N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide (PubChem CID 91687665) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
PubChem CID91687665
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRGRMMKVOVOUYHE-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide 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-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide (CID 91687665) is N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1Cl.
What is the InChIKey of N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide?
The InChIKey is RGRMMKVOVOUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-13-5-2-8(6-10(13)16)14(19)18-12-4-3-9(15)7-11(12)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide?
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide has a molecular weight of 355.62 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 91687665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).