1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea

C14H11Cl2FN2O — CID 51046135

IUPAC1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-8-5-6-9(7-11(8)16)18-14(20)19-12-4-2-3-10(15)13(12)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyIYBZXMQAWYFNSF-UHFFFAOYSA-N
MW313.16 g/mol
LogP5.08
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 51046135) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID51046135
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-8-5-6-9(7-11(8)16)18-14(20)19-12-4-2-3-10(15)13(12)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyIYBZXMQAWYFNSF-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.16
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)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-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348008
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea (CID 51046135) is 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(Cl)c2F)cc1Cl.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is IYBZXMQAWYFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-8-5-6-9(7-11(8)16)18-14(20)19-12-4-2-3-10(15)13(12)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 313.16 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 51046135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).