(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

C24H20FNO3 — CID 41374048

IUPAC(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O
InChIInChI=1S/C24H20FNO3/c1-26(15-16-6-5-9-20(25)12-16)23(27)18-10-11-21-19(13-18)14-22(29-24(21)28)17-7-3-2-4-8-17/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyQCHUCHCYTJLSJS-JOCHJYFZSA-N
MW389.43 g/mol
LogP4.55
Rot. Bonds4

About (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (PubChem CID 41374048) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
PubChem CID41374048
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O
InChIInChI=1S/C24H20FNO3/c1-26(15-16-6-5-9-20(25)12-16)23(27)18-10-11-21-19(13-18)14-22(29-24(21)28)17-7-3-2-4-8-17/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyQCHUCHCYTJLSJS-JOCHJYFZSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1-oxo-3-phenyl-N-(thiophen-3-ylmethyl)-3,4-dihydroisochromene-6-carboxamide
CID 41103870
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41447586
(3S)-N-(furan-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8852042
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 78819682
(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860442
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
(3S)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41037562
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17403166
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (CID 41374048) is (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O.
What is the InChIKey of (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is QCHUCHCYTJLSJS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-26(15-16-6-5-9-20(25)12-16)23(27)18-10-11-21-19(13-18)14-22(29-24(21)28)17-7-3-2-4-8-17/h2-13,22H,14-15H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 41374048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).