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

C15H14Cl2N2O — CID 47455296

IUPAC1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-3-6-13(10-12)19-15(20)18-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyKZMLNCIAKKTWGM-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.36
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea (PubChem CID 47455296) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
PubChem CID47455296
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-3-6-13(10-12)19-15(20)18-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyKZMLNCIAKKTWGM-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 5017956
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
CID 38285214
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea (CID 47455296) is 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea is O=C(NCCc1ccccc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The InChIKey is KZMLNCIAKKTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-5-3-6-13(10-12)19-15(20)18-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H2,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea has a molecular weight of 309.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea is sourced from PubChem (CID 47455296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).