4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide

C23H30FN3O3 — CID 86939743

IUPAC4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H30FN3O3/c24-19-14-18(11-12-20(19)27-13-3-6-21(27)28)26-23(30)16-7-9-17(10-8-16)25-22(29)15-4-1-2-5-15/h11-12,14-17H,1-10,13H2,(H,25,29)(H,26,30)
InChIKeyRJKXKAQTZSKCBY-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.76
Rot. Bonds5

About 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide

4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 86939743) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID86939743
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H30FN3O3/c24-19-14-18(11-12-20(19)27-13-3-6-21(27)28)26-23(30)16-7-9-17(10-8-16)25-22(29)15-4-1-2-5-15/h11-12,14-17H,1-10,13H2,(H,25,29)(H,26,30)
InChIKeyRJKXKAQTZSKCBY-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080093
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 127638623
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86939589
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
2-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 86939779
3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122080094
4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122080097
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
3-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 86939694
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide (CID 86939743) is 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RJKXKAQTZSKCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c24-19-14-18(11-12-20(19)27-13-3-6-21(27)28)26-23(30)16-7-9-17(10-8-16)25-22(29)15-4-1-2-5-15/h11-12,14-17H,1-10,13H2,(H,25,29)(H,26,30).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 86939743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).