1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C17H17FN2O2 — CID 108874691

IUPAC1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)16(21)9-10-19-17(22)20-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyULFZPZUZPXASFF-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.53
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874691) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874691
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)16(21)9-10-19-17(22)20-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyULFZPZUZPXASFF-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874691) is 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is ULFZPZUZPXASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-5-7-13(8-6-12)16(21)9-10-19-17(22)20-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 300.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).