1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea

C16H17FN2O — CID 17087618

IUPAC1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O/c1-11-8-9-14(10-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyOTKWGJDJWXTYAC-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.02
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea

1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea (PubChem CID 17087618) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
PubChem CID17087618
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O/c1-11-8-9-14(10-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyOTKWGJDJWXTYAC-UHFFFAOYSA-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-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
(2R)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927550
(2S)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190553
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757467

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea (CID 17087618) is 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea is Cc1ccc(NC(=O)NC(C)c2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea?
The InChIKey is OTKWGJDJWXTYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-8-9-14(10-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea?
1-(3-fluoro-4-methylphenyl)-3-(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-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 17087618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).