1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea

C16H17FN2O — CID 51944551

IUPAC1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-11-8-9-14(17)10-15(11)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyNUKBSVQJXIEYNI-LBPRGKRZSA-N
MW272.32 g/mol
LogP4.02
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea

1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 51944551) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
PubChem CID51944551
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-11-8-9-14(17)10-15(11)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyNUKBSVQJXIEYNI-LBPRGKRZSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111472994
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea (CID 51944551) is 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea is Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is NUKBSVQJXIEYNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-8-9-14(17)10-15(11)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea?
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 272.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 51944551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).