1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea

C15H14ClFN2O2 — CID 970503

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C15H14ClFN2O2/c1-9-3-5-11(17)8-12(9)18-15(20)19-13-7-10(16)4-6-14(13)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyWOUUKMBVJYRWIM-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.44
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 970503) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
PubChem CID970503
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C15H14ClFN2O2/c1-9-3-5-11(17)8-12(9)18-15(20)19-13-7-10(16)4-6-14(13)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyWOUUKMBVJYRWIM-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
1-(5-chloro-2-methoxyphenyl)-3-[(2,4-difluorophenyl)carbamothioylamino]urea
CID 17378277
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea (CID 970503) is 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is WOUUKMBVJYRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-3-5-11(17)8-12(9)18-15(20)19-13-7-10(16)4-6-14(13)21-2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 308.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).