1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea

C14H11ClF2N2O — CID 108991867

IUPAC1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H11ClF2N2O/c1-8-5-6-9(7-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyWRXFUYVAARARAF-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.57
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea

1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea (PubChem CID 108991867) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
PubChem CID108991867
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C14H11ClF2N2O/c1-8-5-6-9(7-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyWRXFUYVAARARAF-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea (CID 108991867) is 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea is Cc1ccc(NC(=O)Nc2c(F)cccc2F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea?
The InChIKey is WRXFUYVAARARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-8-5-6-9(7-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea has a molecular weight of 296.70 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 108991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).