4-amino-2-(4-bromo-3-methoxyanilino)benzamide

C14H14BrN3O2 — CID 82858027

IUPAC4-amino-2-(4-bromo-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2cc(N)ccc2C(N)=O)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-7-9(3-5-11(13)15)18-12-6-8(16)2-4-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyUKBCHFYYZJLOCL-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.88
Rot. Bonds4

About 4-amino-2-(4-bromo-3-methoxyanilino)benzamide

4-amino-2-(4-bromo-3-methoxyanilino)benzamide (PubChem CID 82858027) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-amino-2-(4-bromo-3-methoxyanilino)benzamide.

Molecular Properties

Compound Name4-amino-2-(4-bromo-3-methoxyanilino)benzamide
PubChem CID82858027
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-amino-2-(4-bromo-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2cc(N)ccc2C(N)=O)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-7-9(3-5-11(13)15)18-12-6-8(16)2-4-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyUKBCHFYYZJLOCL-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-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
4-bromo-2-(4-bromo-3-methoxyanilino)benzenecarbothioamide
CID 114903440
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
2-(4-bromo-3-methoxyanilino)-4-methylbenzenecarbothioamide
CID 82867658
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
2-(4-bromo-3-methoxyanilino)benzenecarbothioamide
CID 82867903
1-N-(4-bromo-3-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 82858182
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
CID 79407435
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
4-amino-2-(3-fluoro-5-methylanilino)benzamide
CID 79048555

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-bromo-3-methoxyanilino)benzamide?
The IUPAC name of 4-amino-2-(4-bromo-3-methoxyanilino)benzamide (CID 82858027) is 4-amino-2-(4-bromo-3-methoxyanilino)benzamide.
What is the SMILES notation for 4-amino-2-(4-bromo-3-methoxyanilino)benzamide?
The canonical SMILES for 4-amino-2-(4-bromo-3-methoxyanilino)benzamide is COc1cc(Nc2cc(N)ccc2C(N)=O)ccc1Br.
What is the InChIKey of 4-amino-2-(4-bromo-3-methoxyanilino)benzamide?
The InChIKey is UKBCHFYYZJLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-7-9(3-5-11(13)15)18-12-6-8(16)2-4-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 4-amino-2-(4-bromo-3-methoxyanilino)benzamide?
4-amino-2-(4-bromo-3-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 4-amino-2-(4-bromo-3-methoxyanilino)benzamide is sourced from PubChem (CID 82858027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).