3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea

C14H18ClFN2O2 — CID 111754289

IUPAC3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
SMILESO=C(Nc1ccc(Cl)cc1F)N(CCCCO)C1CC1
InChIInChI=1S/C14H18ClFN2O2/c15-10-3-6-13(12(16)9-10)17-14(20)18(11-4-5-11)7-1-2-8-19/h3,6,9,11,19H,1-2,4-5,7-8H2,(H,17,20)
InChIKeyBOHZHCJZXYEIMC-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.25
Rot. Bonds6

About 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea

3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea (PubChem CID 111754289) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
PubChem CID111754289
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
SMILESO=C(Nc1ccc(Cl)cc1F)N(CCCCO)C1CC1
InChIInChI=1S/C14H18ClFN2O2/c15-10-3-6-13(12(16)9-10)17-14(20)18(11-4-5-11)7-1-2-8-19/h3,6,9,11,19H,1-2,4-5,7-8H2,(H,17,20)
InChIKeyBOHZHCJZXYEIMC-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)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-cyclopropyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(4-hydroxybutyl)urea
CID 111754705
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 111457031
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111722528
N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111432003

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea (CID 111754289) is 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea is O=C(Nc1ccc(Cl)cc1F)N(CCCCO)C1CC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea?
The InChIKey is BOHZHCJZXYEIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-10-3-6-13(12(16)9-10)17-14(20)18(11-4-5-11)7-1-2-8-19/h3,6,9,11,19H,1-2,4-5,7-8H2,(H,17,20).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea?
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea has a molecular weight of 300.76 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea is sourced from PubChem (CID 111754289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).