N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

C21H20FNO3 — CID 43845126

IUPACN-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)CC(c1ccc(F)cc1)OC2=O
InChIInChI=1S/C21H20FNO3/c22-16-8-5-13(6-9-16)19-12-15-11-14(7-10-18(15)21(25)26-19)20(24)23-17-3-1-2-4-17/h5-11,17,19H,1-4,12H2,(H,23,24)
InChIKeySBNGIVYKKDJPMT-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.95
Rot. Bonds3

About N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (PubChem CID 43845126) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
PubChem CID43845126
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC NameN-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)CC(c1ccc(F)cc1)OC2=O
InChIInChI=1S/C21H20FNO3/c22-16-8-5-13(6-9-16)19-12-15-11-14(7-10-18(15)21(25)26-19)20(24)23-17-3-1-2-4-17/h5-11,17,19H,1-4,12H2,(H,23,24)
InChIKeySBNGIVYKKDJPMT-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860442
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860434
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
N-cyclohexyl-4-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperazine-1-carboxamide
CID 166183686
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 17015460
N-[4-(4-fluorophenyl)oxan-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 86897730
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
(3R)-N-(4-hydroxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97315472
(3R)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497276
N-(4-fluorophenyl)-4-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazine-1-carboxamide
CID 37443338
N-ethoxy-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18169127
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42100272

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (CID 43845126) is N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)CC(c1ccc(F)cc1)OC2=O.
What is the InChIKey of N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is SBNGIVYKKDJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-16-8-5-13(6-9-16)19-12-15-11-14(7-10-18(15)21(25)26-19)20(24)23-17-3-1-2-4-17/h5-11,17,19H,1-4,12H2,(H,23,24).
What are the key properties of N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 43845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).