2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide

C15H15N3O2 — CID 174919262

IUPAC2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(N)ccc1-c1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C15H15N3O2/c1-8-6-10(16)3-5-11(8)13-7-9(14(17)19)2-4-12(13)15(18)20/h2-7H,16H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyAUUDOAKLDZJAES-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.44
Rot. Bonds3

About 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide

2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 174919262) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID174919262
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(N)ccc1-c1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C15H15N3O2/c1-8-6-10(16)3-5-11(8)13-7-9(14(17)19)2-4-12(13)15(18)20/h2-7H,16H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyAUUDOAKLDZJAES-UHFFFAOYSA-N
XLogP1.44
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[4-[4-(5-amino-2-carbamoylphenyl)-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 175851652
3-(4-carbamoyl-2-methylphenyl)-2-(cyclopropylmethyl)-4-methylbenzamide
CID 91453765
carbamoyl 4-amino-2-methylbenzoate
CID 88539769
carbamic acid;3-methyl-4-phenylaniline
CID 175552466
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
4-aminobenzamide;methanol
CID 144801245
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
CID 165449462
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
4-(4-amino-2-ethylphenyl)-3-methylaniline
CID 118326748
4-acetyl-3-aminobenzamide
CID 171538072
5-amino-2-(4-aminophenyl)benzamide
CID 68787804

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide (CID 174919262) is 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide is Cc1cc(N)ccc1-c1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is AUUDOAKLDZJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-8-6-10(16)3-5-11(8)13-7-9(14(17)19)2-4-12(13)15(18)20/h2-7H,16H2,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide?
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 174919262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).