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

C23H18FNO3 — CID 51860442

IUPAC(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O
InChIInChI=1S/C23H18FNO3/c24-19-9-6-16(7-10-19)21-13-18-12-17(8-11-20(18)23(27)28-21)22(26)25-14-15-4-2-1-3-5-15/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1
InChIKeyBSFAEMQXTUXOAH-OAQYLSRUSA-N
MW375.40 g/mol
LogP4.21
Rot. Bonds4

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

(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (PubChem CID 51860442) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
PubChem CID51860442
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O
InChIInChI=1S/C23H18FNO3/c24-19-9-6-16(7-10-19)21-13-18-12-17(8-11-20(18)23(27)28-21)22(26)25-14-15-4-2-1-3-5-15/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1
InChIKeyBSFAEMQXTUXOAH-OAQYLSRUSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845116
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860434
N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845126
1-oxo-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydroisochromene-6-carboxamide
CID 18228010
(3R)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97004856
N-[4-(4-fluorophenyl)oxan-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 86897730
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41374048
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8834116
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8834121
(3R)-1-oxo-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide
CID 8012766
N-ethoxy-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18169127

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (CID 51860442) is (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O.
What is the InChIKey of (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is BSFAEMQXTUXOAH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18FNO3/c24-19-9-6-16(7-10-19)21-13-18-12-17(8-11-20(18)23(27)28-21)22(26)25-14-15-4-2-1-3-5-15/h1-12,21H,13-14H2,(H,25,26)/t21-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 51860442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).