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

C16H15ClF2N2O — CID 86856226

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
SMILESCC(c1ccccc1Cl)N(C)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-6-3-4-7-12(11)17)21(2)16(22)20-14-9-5-8-13(18)15(14)19/h3-10H,1-2H3,(H,20,22)
InChIKeyGNUNGDPHKUPQMR-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.84
Rot. Bonds3

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

1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea (PubChem CID 86856226) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
PubChem CID86856226
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
SMILESCC(c1ccccc1Cl)N(C)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-6-3-4-7-12(11)17)21(2)16(22)20-14-9-5-8-13(18)15(14)19/h3-10H,1-2H3,(H,20,22)
InChIKeyGNUNGDPHKUPQMR-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(1-aminoisoquinolin-4-yl)ethyl]-3-(3-chloro-2-fluorophenyl)-1-methylurea
CID 150685156
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
1-[(1S)-1-(7,8-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 151103497
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 87009755
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55910328
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202324
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea (CID 86856226) is 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea is CC(c1ccccc1Cl)N(C)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea?
The InChIKey is GNUNGDPHKUPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-10(11-6-3-4-7-12(11)17)21(2)16(22)20-14-9-5-8-13(18)15(14)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea?
1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea has a molecular weight of 324.76 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea is sourced from PubChem (CID 86856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).