4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide

C15H15BrClN3O — CID 81251794

IUPAC4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)15(21)9-3-5-12(18)14(7-9)19-13-6-4-10(17)8-11(13)16/h3-8,19H,18H2,1-2H3
InChIKeyGBSBVSGKMFNFFU-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.13
Rot. Bonds3

About 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide

4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide (PubChem CID 81251794) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
PubChem CID81251794
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)15(21)9-3-5-12(18)14(7-9)19-13-6-4-10(17)8-11(13)16/h3-8,19H,18H2,1-2H3
InChIKeyGBSBVSGKMFNFFU-UHFFFAOYSA-N
XLogP4.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide 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

4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
ethyl 4-amino-3-(2-bromo-4-chloroanilino)benzoate
CID 82778304
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601
methyl 4-amino-3-(4-chloro-2-iodoanilino)benzoate
CID 107637828
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
methyl 4-amino-3-(4-bromo-2,3-dichloroanilino)benzoate
CID 107792962
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
CID 107634125
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide (CID 81251794) is 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(Nc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide?
The InChIKey is GBSBVSGKMFNFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(2)15(21)9-3-5-12(18)14(7-9)19-13-6-4-10(17)8-11(13)16/h3-8,19H,18H2,1-2H3.
What are the key properties of 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide?
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 81251794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).