1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea

C18H18ClFN2O2 — CID 60544137

IUPAC1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C18H18ClFN2O2/c19-13-3-1-4-15(11-13)21-18(23)22-17(16-5-2-10-24-16)12-6-8-14(20)9-7-12/h1,3-4,6-9,11,16-17H,2,5,10H2,(H2,21,22,23)
InChIKeyCPZTVASNQCHVSQ-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea

1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea (PubChem CID 60544137) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
PubChem CID60544137
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C18H18ClFN2O2/c19-13-3-1-4-15(11-13)21-18(23)22-17(16-5-2-10-24-16)12-6-8-14(20)9-7-12/h1,3-4,6-9,11,16-17H,2,5,10H2,(H2,21,22,23)
InChIKeyCPZTVASNQCHVSQ-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]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-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[1-(3-bromophenyl)ethyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60547734
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 94337716
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea (CID 60544137) is 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea is O=C(Nc1cccc(Cl)c1)NC(c1ccc(F)cc1)C1CCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea?
The InChIKey is CPZTVASNQCHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-13-3-1-4-15(11-13)21-18(23)22-17(16-5-2-10-24-16)12-6-8-14(20)9-7-12/h1,3-4,6-9,11,16-17H,2,5,10H2,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea has a molecular weight of 348.81 g/mol, XLogP of 4.52, 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-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea is sourced from PubChem (CID 60544137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).