2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide

C16H16ClN3O2 — CID 4949332

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c1-2-18-15(21)13-5-3-4-6-14(13)20-16(22)19-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKXXYDXLPYULAOW-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.73
Rot. Bonds4

About 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide

2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide (PubChem CID 4949332) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
PubChem CID4949332
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c1-2-18-15(21)13-5-3-4-6-14(13)20-16(22)19-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyKXXYDXLPYULAOW-UHFFFAOYSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
CID 17186609
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
CID 142083334
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide (CID 4949332) is 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide?
The InChIKey is KXXYDXLPYULAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-18-15(21)13-5-3-4-6-14(13)20-16(22)19-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide?
2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide has a molecular weight of 317.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide is sourced from PubChem (CID 4949332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).