1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea

C14H12ClFN2O — CID 742689

IUPAC1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyPAPXEJVEGLDXBU-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.43
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea

1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 742689) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
PubChem CID742689
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyPAPXEJVEGLDXBU-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 89467060
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea (CID 742689) is 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is PAPXEJVEGLDXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-9-2-7-12(16)13(8-9)18-14(19)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea?
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 278.71 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 742689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).