1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea

C15H14F2N2O — CID 51579251

IUPAC1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O/c1-10(11-5-3-2-4-6-11)18-15(20)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyZUCBDWSQRWNFME-SNVBAGLBSA-N
MW276.29 g/mol
LogP3.85
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea

1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 51579251) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
PubChem CID51579251
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O/c1-10(11-5-3-2-4-6-11)18-15(20)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyZUCBDWSQRWNFME-SNVBAGLBSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 47050813
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea (CID 51579251) is 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is ZUCBDWSQRWNFME-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10(11-5-3-2-4-6-11)18-15(20)19-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea?
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea has a molecular weight of 276.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 51579251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).