2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide

C22H20ClN3O2 — CID 17186609

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-2-26(18-8-4-3-5-9-18)21(27)19-10-6-7-11-20(19)25-22(28)24-17-14-12-16(23)13-15-17/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyCEKUQCRSDONQIV-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.65
Rot. Bonds5

About 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide

2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide (PubChem CID 17186609) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
PubChem CID17186609
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-2-26(18-8-4-3-5-9-18)21(27)19-10-6-7-11-20(19)25-22(28)24-17-14-12-16(23)13-15-17/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyCEKUQCRSDONQIV-UHFFFAOYSA-N
XLogP5.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
CID 4949332
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892
5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 17186685
ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
CID 17186762
N-ethyl-2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenylbenzamide
CID 17186678
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide
CID 17186809
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide (CID 17186609) is 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide?
The InChIKey is CEKUQCRSDONQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-2-26(18-8-4-3-5-9-18)21(27)19-10-6-7-11-20(19)25-22(28)24-17-14-12-16(23)13-15-17/h3-15H,2H2,1H3,(H2,24,25,28).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide?
2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide has a molecular weight of 393.87 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17186609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).