1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea

C15H13ClF2N2O — CID 108991013

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyPFZGQCZOONYUNR-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.98
Rot. Bonds4

About 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea (PubChem CID 108991013) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
PubChem CID108991013
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyPFZGQCZOONYUNR-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885740
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
CID 86987908
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108873490
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 71865565
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)thiourea
CID 19649987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea (CID 108991013) is 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea is O=C(NCCc1cccc(Cl)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea?
The InChIKey is PFZGQCZOONYUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-12-4-5-13(17)14(18)9-12/h1-5,8-9H,6-7H2,(H2,19,20,21).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea has a molecular weight of 310.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 108991013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).