1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea

C14H17ClF2N2O2 — CID 17269947

IUPAC1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H17ClF2N2O2/c15-11-8-10(6-7-12(11)21-13(16)17)19-14(20)18-9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,19,20)
InChIKeyODAJEDJIBLUPOE-UHFFFAOYSA-N
MW318.75 g/mol
LogP4.40
Rot. Bonds4

About 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea (PubChem CID 17269947) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
PubChem CID17269947
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H17ClF2N2O2/c15-11-8-10(6-7-12(11)21-13(16)17)19-14(20)18-9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,19,20)
InChIKeyODAJEDJIBLUPOE-UHFFFAOYSA-N
XLogP4.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea 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

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 9046647
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891560
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea (CID 17269947) is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea is O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea?
The InChIKey is ODAJEDJIBLUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c15-11-8-10(6-7-12(11)21-13(16)17)19-14(20)18-9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,19,20).
What are the key properties of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea?
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea has a molecular weight of 318.75 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 17269947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).