4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide

C15H16BrN3O2 — CID 82859549

IUPAC4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H16BrN3O2/c1-18-15(20)13-4-3-10(17)7-14(13)19-11-5-9(16)6-12(8-11)21-2/h3-8,19H,17H2,1-2H3,(H,18,20)
InChIKeyGUXMAIZTPRXZIA-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.14
Rot. Bonds4

About 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide

4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide (PubChem CID 82859549) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
PubChem CID82859549
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H16BrN3O2/c1-18-15(20)13-4-3-10(17)7-14(13)19-11-5-9(16)6-12(8-11)21-2/h3-8,19H,17H2,1-2H3,(H,18,20)
InChIKeyGUXMAIZTPRXZIA-UHFFFAOYSA-N
XLogP3.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.14
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

4-amino-2-(3-bromo-5-methylanilino)benzoic acid
CID 107577656
3-amino-4-(3-bromo-5-methoxyanilino)benzamide
CID 82857398
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
2-bromo-4-(3-bromo-5-methoxyanilino)benzenecarbothioamide
CID 107278026
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide (CID 82859549) is 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)cc1Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide?
The InChIKey is GUXMAIZTPRXZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-18-15(20)13-4-3-10(17)7-14(13)19-11-5-9(16)6-12(8-11)21-2/h3-8,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide?
4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide has a molecular weight of 350.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide is sourced from PubChem (CID 82859549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).