1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea

C12H15FN2O2 — CID 110661716

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)15-12(17)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,17)
InChIKeySCSZCEZKDUFOGW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea

1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea (PubChem CID 110661716) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
PubChem CID110661716
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)15-12(17)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,17)
InChIKeySCSZCEZKDUFOGW-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]-N-propan-2-ylacetamide
CID 60696268
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate
CID 138473238
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
(E)-3-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299970
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea (CID 110661716) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea?
The InChIKey is SCSZCEZKDUFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(2)15-12(17)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea?
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea has a molecular weight of 238.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110661716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).