2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide

C20H18N4O2 — CID 54284404

IUPAC2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2-c2cccc(C(N)=O)c2N)c1N
InChIInChI=1S/C20H18N4O2/c21-17-13(7-3-9-15(17)19(23)25)11-5-1-2-6-12(11)14-8-4-10-16(18(14)22)20(24)26/h1-10H,21-22H2,(H2,23,25)(H2,24,26)
InChIKeyRTBVHFOWLPVNAX-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.38
Rot. Bonds4

About 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide

2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide (PubChem CID 54284404) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
PubChem CID54284404
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2-c2cccc(C(N)=O)c2N)c1N
InChIInChI=1S/C20H18N4O2/c21-17-13(7-3-9-15(17)19(23)25)11-5-1-2-6-12(11)14-8-4-10-16(18(14)22)20(24)26/h1-10H,21-22H2,(H2,23,25)(H2,24,26)
InChIKeyRTBVHFOWLPVNAX-UHFFFAOYSA-N
XLogP2.38
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2-amino-3-(2-methylquinolin-4-yl)benzamide
CID 69135546
2-amino-3-iodobenzamide
CID 67497450
10-aminoanthracene-1-carboxamide
CID 23131366
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
CID 67588186
CID 67588186
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
bis(2-aminobenzamide);platinum(2+)
CID 50912239
9H-fluorene-1,8-dicarboxamide
CID 21019291

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide?
The IUPAC name of 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide (CID 54284404) is 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide?
The canonical SMILES for 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccccc2-c2cccc(C(N)=O)c2N)c1N.
What is the InChIKey of 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide?
The InChIKey is RTBVHFOWLPVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-17-13(7-3-9-15(17)19(23)25)11-5-1-2-6-12(11)14-8-4-10-16(18(14)22)20(24)26/h1-10H,21-22H2,(H2,23,25)(H2,24,26).
What are the key properties of 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide?
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide is sourced from PubChem (CID 54284404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).