1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

C16H15Cl2FN2O — CID 108988923

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c17-13-4-3-12(15(18)9-13)7-8-20-16(22)21-10-11-1-5-14(19)6-2-11/h1-6,9H,7-8,10H2,(H2,20,21,22)
InChIKeyHYISKTCGMSFJBG-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 108988923) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID108988923
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O/c17-13-4-3-12(15(18)9-13)7-8-20-16(22)21-10-11-1-5-14(19)6-2-11/h1-6,9H,7-8,10H2,(H2,20,21,22)
InChIKeyHYISKTCGMSFJBG-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9196994

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 108988923) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is HYISKTCGMSFJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c17-13-4-3-12(15(18)9-13)7-8-20-16(22)21-10-11-1-5-14(19)6-2-11/h1-6,9H,7-8,10H2,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 341.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 108988923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).