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

C21H18ClN3O2 — CID 17227739

IUPAC3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C21H18ClN3O2/c1-25(19-8-3-2-4-9-19)20(26)15-6-5-7-18(14-15)24-21(27)23-17-12-10-16(22)11-13-17/h2-14H,1H3,(H2,23,24,27)
InChIKeyXABQSEYOSCWREL-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.26
Rot. Bonds4

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

3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 17227739) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
PubChem CID17227739
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C21H18ClN3O2/c1-25(19-8-3-2-4-9-19)20(26)15-6-5-7-18(14-15)24-21(27)23-17-12-10-16(22)11-13-17/h2-14H,1H3,(H2,23,24,27)
InChIKeyXABQSEYOSCWREL-UHFFFAOYSA-N
XLogP5.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
CID 87010500
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-phenylbenzamide
CID 17228047
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide (CID 17227739) is 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is XABQSEYOSCWREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-25(19-8-3-2-4-9-19)20(26)15-6-5-7-18(14-15)24-21(27)23-17-12-10-16(22)11-13-17/h2-14H,1H3,(H2,23,24,27).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide?
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 379.85 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17227739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).