4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide

C15H16BrN3O — CID 63360647

IUPAC4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccccc2Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(2)15(20)10-7-8-12(17)14(9-10)18-13-6-4-3-5-11(13)16/h3-9,18H,17H2,1-2H3
InChIKeyDXUASJVPAMQEPK-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.48
Rot. Bonds3

About 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide

4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide (PubChem CID 63360647) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
PubChem CID63360647
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccccc2Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(2)15(20)10-7-8-12(17)14(9-10)18-13-6-4-3-5-11(13)16/h3-9,18H,17H2,1-2H3
InChIKeyDXUASJVPAMQEPK-UHFFFAOYSA-N
XLogP3.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
4-amino-3-(2-bromoanilino)benzamide
CID 55191226
methyl 4-amino-3-(2-bromoanilino)benzoate
CID 82785601
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
4-amino-3-(2-bromo-5-methylanilino)benzoic acid
CID 82796286
3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
CID 82990211
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide (CID 63360647) is 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(Nc2ccccc2Br)c1.
What is the InChIKey of 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide?
The InChIKey is DXUASJVPAMQEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)15(20)10-7-8-12(17)14(9-10)18-13-6-4-3-5-11(13)16/h3-9,18H,17H2,1-2H3.
What are the key properties of 4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide?
4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide has a molecular weight of 334.22 g/mol, XLogP of 3.48, 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-bromoanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 63360647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).