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

C14H14BrN3O2 — CID 82859808

IUPAC2-amino-5-(4-bromo-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(N)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-7-9(2-4-11(13)15)18-8-3-5-12(16)10(6-8)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyNTMJYSKNJITZDV-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-5-(4-bromo-3-methoxyanilino)benzamide

2-amino-5-(4-bromo-3-methoxyanilino)benzamide (PubChem CID 82859808) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-amino-5-(4-bromo-3-methoxyanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-bromo-3-methoxyanilino)benzamide
PubChem CID82859808
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-amino-5-(4-bromo-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(N)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-7-9(2-4-11(13)15)18-8-3-5-12(16)10(6-8)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyNTMJYSKNJITZDV-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-methoxyanilino)benzamide
CID 61311885
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
2-amino-5-(4-bromo-3-methoxyanilino)benzonitrile
CID 82857794
2-amino-5-(2-cyano-6-methoxyanilino)benzamide
CID 107469623
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-(4-bromo-3-methoxyanilino)benzenecarbothioamide
CID 82867903
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromo-3-methoxyanilino)benzamide?
The IUPAC name of 2-amino-5-(4-bromo-3-methoxyanilino)benzamide (CID 82859808) is 2-amino-5-(4-bromo-3-methoxyanilino)benzamide.
What is the SMILES notation for 2-amino-5-(4-bromo-3-methoxyanilino)benzamide?
The canonical SMILES for 2-amino-5-(4-bromo-3-methoxyanilino)benzamide is COc1cc(Nc2ccc(N)c(C(N)=O)c2)ccc1Br.
What is the InChIKey of 2-amino-5-(4-bromo-3-methoxyanilino)benzamide?
The InChIKey is NTMJYSKNJITZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-7-9(2-4-11(13)15)18-8-3-5-12(16)10(6-8)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-5-(4-bromo-3-methoxyanilino)benzamide?
2-amino-5-(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 2-amino-5-(4-bromo-3-methoxyanilino)benzamide is sourced from PubChem (CID 82859808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).