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

C15H12Cl2N2O2 — CID 4789489

IUPAC1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
SMILESC1=CC(=CC(=C1)Cl)NC(=O)NCC(=O)C2=CC=C(C=C2)Cl
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
MW323.20 g/mol
LogP3.60
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 323.20 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 Weight323.20 g/mol
Exact Mass322.03
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
SMILESC1=CC(=CC(=C1)Cl)NC(=O)NCC(=O)C2=CC=C(C=C2)Cl
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
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity371

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
Pencycuron-ketone
CID 139595074
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
2-(((3-Chloroanilino)carbonyl)amino)benzamide
CID 717621
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
CID 168297674
N-(4-{[3-(4-chlorophenyl)-3-oxo-1-propen-1-yl]amino}phenyl)acetamide
CID 2267801
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
4-chloro-N-[4-(2-fluoroanilino)-4-oxobutyl]benzamide
CID 9504599
4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
CID 9509562
ST50973735
CID 742856
1-(4-Acetylphenyl)-3-(4-chlorophenyl)urea
CID 721943

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 C1=CC(=CC(=C1)Cl)NC(=O)NCC(=O)C2=CC=C(C=C2)Cl.
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 323.20 g/mol, XLogP of 3.60, 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).