3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide

C22H18N4O2 — CID 141480879

IUPAC3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H18N4O2/c1-15-10-11-17(21(27)24-18-7-3-2-4-8-18)13-20(15)26-22(28)25-19-9-5-6-16(12-19)14-23/h2-13H,1H3,(H,24,27)(H2,25,26,28)
InChIKeyZACGFVYVDXICGI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.76
Rot. Bonds4

About 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide

3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide (PubChem CID 141480879) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
PubChem CID141480879
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H18N4O2/c1-15-10-11-17(21(27)24-18-7-3-2-4-8-18)13-20(15)26-22(28)25-19-9-5-6-16(12-19)14-23/h2-13H,1H3,(H,24,27)(H2,25,26,28)
InChIKeyZACGFVYVDXICGI-UHFFFAOYSA-N
XLogP4.76
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-[(3-cyanophenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54153620
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
ethyl 4-[(3-cyanophenyl)carbamoylamino]benzoate
CID 46859859

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide (CID 141480879) is 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide?
The InChIKey is ZACGFVYVDXICGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-10-11-17(21(27)24-18-7-3-2-4-8-18)13-20(15)26-22(28)25-19-9-5-6-16(12-19)14-23/h2-13H,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide?
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide has a molecular weight of 370.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 141480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).