1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea

C16H16F2N2O — CID 108989059

IUPAC1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-15-9-8-13(17)10-14(15)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyGRPMWCKZPNQOLR-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.02
Rot. Bonds4

About 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea

1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea (PubChem CID 108989059) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
PubChem CID108989059
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-15-9-8-13(17)10-14(15)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyGRPMWCKZPNQOLR-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
CID 10833427
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
ethyl 3-[benzyl-[(4-bromo-2-fluorophenyl)carbamoyl]amino]propanoate
CID 4989631
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea?
The IUPAC name of 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea (CID 108989059) is 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea?
The canonical SMILES for 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea is CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea?
The InChIKey is GRPMWCKZPNQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-15-9-8-13(17)10-14(15)18/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea?
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea has a molecular weight of 290.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea is sourced from PubChem (CID 108989059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).