1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea

C17H19FN2O — CID 17087489

IUPAC1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)13(3)19-17(21)20-15-9-6-12(2)16(18)10-15/h4-10,13H,1-3H3,(H2,19,20,21)
InChIKeyJPDVIGLFHSMJLS-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.33
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea

1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea (PubChem CID 17087489) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
PubChem CID17087489
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)13(3)19-17(21)20-15-9-6-12(2)16(18)10-15/h4-10,13H,1-3H3,(H2,19,20,21)
InChIKeyJPDVIGLFHSMJLS-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 87008854
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
(2S)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190553
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
(2R)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927550
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 87008929
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 95597501
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea (CID 17087489) is 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)NC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is JPDVIGLFHSMJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)13(3)19-17(21)20-15-9-6-12(2)16(18)10-15/h4-10,13H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 286.35 g/mol, XLogP of 4.33, 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-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 17087489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).