3-amino-4-(3-bromo-5-methoxyanilino)benzamide

C14H14BrN3O2 — CID 82857398

IUPAC3-amino-4-(3-bromo-5-methoxyanilino)benzamide
SMILESCOc1cc(Br)cc(Nc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C14H14BrN3O2/c1-20-11-6-9(15)5-10(7-11)18-13-3-2-8(14(17)19)4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyWBRIQZDUWWZUNN-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-4-(3-bromo-5-methoxyanilino)benzamide

3-amino-4-(3-bromo-5-methoxyanilino)benzamide (PubChem CID 82857398) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-amino-4-(3-bromo-5-methoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(3-bromo-5-methoxyanilino)benzamide
PubChem CID82857398
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name3-amino-4-(3-bromo-5-methoxyanilino)benzamide
SMILESCOc1cc(Br)cc(Nc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C14H14BrN3O2/c1-20-11-6-9(15)5-10(7-11)18-13-3-2-8(14(17)19)4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyWBRIQZDUWWZUNN-UHFFFAOYSA-N
XLogP2.88
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
CID 82859549
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
4-amino-3-(4-bromoanilino)benzamide
CID 63356088

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-bromo-5-methoxyanilino)benzamide?
The IUPAC name of 3-amino-4-(3-bromo-5-methoxyanilino)benzamide (CID 82857398) is 3-amino-4-(3-bromo-5-methoxyanilino)benzamide.
What is the SMILES notation for 3-amino-4-(3-bromo-5-methoxyanilino)benzamide?
The canonical SMILES for 3-amino-4-(3-bromo-5-methoxyanilino)benzamide is COc1cc(Br)cc(Nc2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-(3-bromo-5-methoxyanilino)benzamide?
The InChIKey is WBRIQZDUWWZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-11-6-9(15)5-10(7-11)18-13-3-2-8(14(17)19)4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-(3-bromo-5-methoxyanilino)benzamide?
3-amino-4-(3-bromo-5-methoxyanilino)benzamide has a molecular weight of 336.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-bromo-5-methoxyanilino)benzamide is sourced from PubChem (CID 82857398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).