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

C16H15ClF2N2O — CID 42924591

IUPAC1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-6-7-14(18)15(19)8-11)21-16(22)20-9-12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H2,20,21,22)
InChIKeySINIBXNAAYRPLV-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.18
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 42924591) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID42924591
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-6-7-14(18)15(19)8-11)21-16(22)20-9-12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H2,20,21,22)
InChIKeySINIBXNAAYRPLV-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41406588
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 27516317
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 42924591) is 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is SINIBXNAAYRPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-10(11-6-7-14(18)15(19)8-11)21-16(22)20-9-12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 324.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 42924591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).