N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide

C19H25FN2O2 — CID 45189442

IUPACN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCCC1
InChIInChI=1S/C19H25FN2O2/c20-16-9-5-6-14(10-16)12-22-13-17(11-18(22)23)21-19(24)15-7-3-1-2-4-8-15/h5-6,9-10,15,17H,1-4,7-8,11-13H2,(H,21,24)
InChIKeySTXPLUUIGOCBIX-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.01
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide (PubChem CID 45189442) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
PubChem CID45189442
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCCC1
InChIInChI=1S/C19H25FN2O2/c20-16-9-5-6-14(10-16)12-22-13-17(11-18(22)23)21-19(24)15-7-3-1-2-4-8-15/h5-6,9-10,15,17H,1-4,7-8,11-13H2,(H,21,24)
InChIKeySTXPLUUIGOCBIX-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
2-[cyclopentyl(methyl)amino]-N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712178
2-[cyclopentyl(methyl)amino]-N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712179
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255350
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255351
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide (CID 45189442) is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide is O=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCCC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide?
The InChIKey is STXPLUUIGOCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-9-5-6-14(10-16)12-22-13-17(11-18(22)23)21-19(24)15-7-3-1-2-4-8-15/h5-6,9-10,15,17H,1-4,7-8,11-13H2,(H,21,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide?
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide is sourced from PubChem (CID 45189442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).