1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea

C14H8Cl3N3O — CID 107653480

IUPAC1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
SMILESN#Cc1ccc(Cl)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8Cl3N3O/c15-9-4-10(16)6-11(5-9)19-14(21)20-13-3-8(7-18)1-2-12(13)17/h1-6H,(H2,19,20,21)
InChIKeyOSTRYNLYIBMUOR-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.16
Rot. Bonds2

About 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea

1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653480) has the molecular formula C14H8Cl3N3O and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653480
Molecular FormulaC14H8Cl3N3O
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
SMILESN#Cc1ccc(Cl)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8Cl3N3O/c15-9-4-10(16)6-11(5-9)19-14(21)20-13-3-8(7-18)1-2-12(13)17/h1-6H,(H2,19,20,21)
InChIKeyOSTRYNLYIBMUOR-UHFFFAOYSA-N
XLogP5.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
N-(2-chloro-5-cyanophenyl)-3-methyl-2-sulfanylbutanamide
CID 107032759
3-amino-N-(2-chloro-5-cyanophenyl)-2-methylbutanamide
CID 113416373
1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107652968
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
(2S)-3-[(2-chloro-5-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840545
chloromethyl N-(2-chloro-5-cyanophenyl)carbamate
CID 164652627
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-cyano-3-(3,5-dichlorophenyl)urea
CID 107654843

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea (CID 107653480) is 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea is N#Cc1ccc(Cl)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is OSTRYNLYIBMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O/c15-9-4-10(16)6-11(5-9)19-14(21)20-13-3-8(7-18)1-2-12(13)17/h1-6H,(H2,19,20,21).
What are the key properties of 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea?
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 340.60 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).