1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea

C15H14ClFN2O2 — CID 108896680

IUPAC1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-11-5-2-4-10(8-11)9-18-15(20)19-14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyDCVGJEURHZDRMG-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea

1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108896680) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108896680
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-21-11-5-2-4-10(8-11)9-18-15(20)19-14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyDCVGJEURHZDRMG-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-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
CID 108896675
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 46386849
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea (CID 108896680) is 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is DCVGJEURHZDRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-11-5-2-4-10(8-11)9-18-15(20)19-14-12(16)6-3-7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(2-chloro-6-fluorophenyl)-3-[(3-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-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108896680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).