N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide

C22H21N3O2 — CID 47058047

IUPACN-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2Nc2ccccc2)ccc1C
InChIInChI=1S/C22H21N3O2/c1-15-12-13-18(14-21(15)23-16(2)26)25-22(27)19-10-6-7-11-20(19)24-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyDXASVRLVKTUQGD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.95
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide

N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide (PubChem CID 47058047) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
PubChem CID47058047
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2Nc2ccccc2)ccc1C
InChIInChI=1S/C22H21N3O2/c1-15-12-13-18(14-21(15)23-16(2)26)25-22(27)19-10-6-7-11-20(19)24-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyDXASVRLVKTUQGD-UHFFFAOYSA-N
XLogP4.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783
N-(5-benzamido-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 51120342
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide (CID 47058047) is N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide is CC(=O)Nc1cc(NC(=O)c2ccccc2Nc2ccccc2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide?
The InChIKey is DXASVRLVKTUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-12-13-18(14-21(15)23-16(2)26)25-22(27)19-10-6-7-11-20(19)24-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide?
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide has a molecular weight of 359.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide is sourced from PubChem (CID 47058047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).