1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea

C15H14Cl2N2O — CID 17182401

IUPAC1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20)
InChIKeyLOGBULZLPUFISH-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.88
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea

1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea (PubChem CID 17182401) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
PubChem CID17182401
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20)
InChIKeyLOGBULZLPUFISH-UHFFFAOYSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 9036956
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
5-chloro-2-(1-phenylethylcarbamoylamino)benzoic acid
CID 23444449
1-[1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 55695945
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea (CID 17182401) is 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea is CC(NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea?
The InChIKey is LOGBULZLPUFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea?
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea has a molecular weight of 309.20 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 17182401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).