4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide

C21H19N3O2 — CID 143832330

IUPAC4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-11-18(12-8-15)23-21(26)24-19-13-9-16(10-14-19)20(25)22-17-5-3-2-4-6-17/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyWGVMICLEAOEMBC-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.89
Rot. Bonds4

About 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide

4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide (PubChem CID 143832330) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
PubChem CID143832330
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-11-18(12-8-15)23-21(26)24-19-13-9-16(10-14-19)20(25)22-17-5-3-2-4-6-17/h2-14H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyWGVMICLEAOEMBC-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide?
The IUPAC name of 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide (CID 143832330) is 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide.
What is the SMILES notation for 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide?
The canonical SMILES for 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide is Cc1ccc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide?
The InChIKey is WGVMICLEAOEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-7-11-18(12-8-15)23-21(26)24-19-13-9-16(10-14-19)20(25)22-17-5-3-2-4-6-17/h2-14H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide?
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide is sourced from PubChem (CID 143832330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).