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

C17H18ClFN2O2 — CID 90623238

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O2/c1-23-16(13-3-2-4-15(19)9-13)11-21-17(22)20-10-12-5-7-14(18)8-6-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22)
InChIKeyVCWQRSMNHQZWAL-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.67
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea (PubChem CID 90623238) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
PubChem CID90623238
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O2/c1-23-16(13-3-2-4-15(19)9-13)11-21-17(22)20-10-12-5-7-14(18)8-6-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22)
InChIKeyVCWQRSMNHQZWAL-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]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-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
CID 90622955
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea (CID 90623238) is 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea is COC(CNC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea?
The InChIKey is VCWQRSMNHQZWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-23-16(13-3-2-4-15(19)9-13)11-21-17(22)20-10-12-5-7-14(18)8-6-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea has a molecular weight of 336.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea is sourced from PubChem (CID 90623238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).