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

C15H12Cl2N2O2 — CID 4789489

IUPAC1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-11-6-4-10(5-7-11)14(20)9-18-15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H2,18,19,21)
InChIKeySDVRTWLTLUBXLW-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.00
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea (PubChem CID 4789489) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
PubChem CID4789489
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-11-6-4-10(5-7-11)14(20)9-18-15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H2,18,19,21)
InChIKeySDVRTWLTLUBXLW-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]urea
CID 126413305
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea (CID 4789489) is 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea is O=C(NCC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea?
The InChIKey is SDVRTWLTLUBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-11-6-4-10(5-7-11)14(20)9-18-15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H2,18,19,21).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea has a molecular weight of 323.18 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea is sourced from PubChem (CID 4789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).