4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide

C22H21N3O2 — CID 67289851

IUPAC4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3C)ccc2N)cc1
InChIInChI=1S/C22H21N3O2/c1-14-5-3-4-6-19(14)17-9-12-20(23)21(13-17)25-22(27)16-7-10-18(11-8-16)24-15(2)26/h3-13H,23H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZVTAIWTYJKFNQK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.45
Rot. Bonds4

About 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide

4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide (PubChem CID 67289851) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide
PubChem CID67289851
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3C)ccc2N)cc1
InChIInChI=1S/C22H21N3O2/c1-14-5-3-4-6-19(14)17-9-12-20(23)21(13-17)25-22(27)16-7-10-18(11-8-16)24-15(2)26/h3-13H,23H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZVTAIWTYJKFNQK-UHFFFAOYSA-N
XLogP4.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.45
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-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
4-acetamido-N-(2-acetyl-3-methylphenyl)benzamide
CID 122150958
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
(4-acetamidophenyl)-hydroperoxyarsinic acid;N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide
CID 174510255
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide (CID 67289851) is 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3C)ccc2N)cc1.
What is the InChIKey of 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide?
The InChIKey is ZVTAIWTYJKFNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-5-3-4-6-19(14)17-9-12-20(23)21(13-17)25-22(27)16-7-10-18(11-8-16)24-15(2)26/h3-13H,23H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide?
4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide is sourced from PubChem (CID 67289851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).