1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea

C20H28FN3O2 — CID 43970311

IUPAC1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea
SMILESCC1CC(NC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)C1
InChIInChI=1S/C20H28FN3O2/c1-13-8-15(11-20(2,3)10-13)22-19(26)23-16-9-18(25)24(12-16)17-6-4-14(21)5-7-17/h4-7,13,15-16H,8-12H2,1-3H3,(H2,22,23,26)
InChIKeyPANRPBGJNJQMAM-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea

1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea (PubChem CID 43970311) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea
PubChem CID43970311
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea
SMILESCC1CC(NC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)C1
InChIInChI=1S/C20H28FN3O2/c1-13-8-15(11-20(2,3)10-13)22-19(26)23-16-9-18(25)24(12-16)17-6-4-14(21)5-7-17/h4-7,13,15-16H,8-12H2,1-3H3,(H2,22,23,26)
InChIKeyPANRPBGJNJQMAM-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]urea
CID 7544195
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea
CID 7547969
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131952175
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 18564419

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea (CID 43970311) is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea is CC1CC(NC(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)CC(C)(C)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea?
The InChIKey is PANRPBGJNJQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-8-15(11-20(2,3)10-13)22-19(26)23-16-9-18(25)24(12-16)17-6-4-14(21)5-7-17/h4-7,13,15-16H,8-12H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea?
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea has a molecular weight of 361.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,3,5-trimethylcyclohexyl)urea is sourced from PubChem (CID 43970311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).