1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea

C15H14ClFN2O2 — CID 38156060

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-5-3-2-4-10(14)9-18-15(20)19-11-6-7-13(17)12(16)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyHMTKPENQEVPMNV-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea

1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38156060) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38156060
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-5-3-2-4-10(14)9-18-15(20)19-11-6-7-13(17)12(16)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyHMTKPENQEVPMNV-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 56801848
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea (CID 38156060) is 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is HMTKPENQEVPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-14-5-3-2-4-10(14)9-18-15(20)19-11-6-7-13(17)12(16)8-11/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 308.74 g/mol, XLogP of 3.81, 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-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38156060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).