1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea

C13H9Cl2FN2O — CID 742623

IUPAC1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-12(16)11(15)7-10/h1-7H,(H2,17,18,19)
InChIKeyVJVQQJPAXDBTII-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.78
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea

1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea (PubChem CID 742623) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
PubChem CID742623
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-12(16)11(15)7-10/h1-7H,(H2,17,18,19)
InChIKeyVJVQQJPAXDBTII-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
CID 168763640
CID 168763640
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454084

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea (CID 742623) is 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea?
The InChIKey is VJVQQJPAXDBTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-12(16)11(15)7-10/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea has a molecular weight of 299.13 g/mol, XLogP of 4.78, 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-fluorophenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 742623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).