N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide

C21H17FN2O4 — CID 42307840

IUPACN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H17FN2O4/c22-15-6-3-4-13(8-15)11-24-12-16(10-19(24)25)23-20(26)17-9-14-5-1-2-7-18(14)28-21(17)27/h1-9,16H,10-12H2,(H,23,26)/t16-/m1/s1
InChIKeyHZHGEFHZNHIECK-MRXNPFEDSA-N
MW380.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 42307840) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
PubChem CID42307840
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H17FN2O4/c22-15-6-3-4-13(8-15)11-24-12-16(10-19(24)25)23-20(26)17-9-14-5-1-2-7-18(14)28-21(17)27/h1-9,16H,10-12H2,(H,23,26)/t16-/m1/s1
InChIKeyHZHGEFHZNHIECK-MRXNPFEDSA-N
XLogP2.46
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide (CID 42307840) is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide is O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is HZHGEFHZNHIECK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-15-6-3-4-13(8-15)11-24-12-16(10-19(24)25)23-20(26)17-9-14-5-1-2-7-18(14)28-21(17)27/h1-9,16H,10-12H2,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide?
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 42307840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).