(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide

C24H20Cl2FN3O4 — CID 135282786

IUPAC(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide
SMILESCON(C)C(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cn1)[C@@]2(OC)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2FN3O4/c1-29(34-3)22(31)14-10-19-21(20(27)11-14)24(33-2,15-4-6-16(25)7-5-15)30(23(19)32)13-18-9-8-17(26)12-28-18/h4-12H,13H2,1-3H3/t24-/m1/s1
InChIKeyGARXXBAYOJALQE-XMMPIXPASA-N
MW504.35 g/mol
LogP4.66
Rot. Bonds6

About (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide

(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide (PubChem CID 135282786) has the molecular formula C24H20Cl2FN3O4 and a molecular weight of 504.35 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide
PubChem CID135282786
Molecular FormulaC24H20Cl2FN3O4
Molecular Weight504.35 g/mol
Exact Mass503.08
IUPAC Name(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide
SMILESCON(C)C(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cn1)[C@@]2(OC)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2FN3O4/c1-29(34-3)22(31)14-10-19-21(20(27)11-14)24(33-2,15-4-6-16(25)7-5-15)30(23(19)32)13-18-9-8-17(26)12-28-18/h4-12H,13H2,1-3H3/t24-/m1/s1
InChIKeyGARXXBAYOJALQE-XMMPIXPASA-N
XLogP4.66
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindol-1-one
CID 149248385
(2R)-3-[(1R)-5-acetyl-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxy-2-methylpropanamide
CID 164901064
3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-6-(1-cyclohexyl-1-hydroxypropyl)-4-fluoro-3-methoxyisoindol-1-one
CID 145283200
3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-3-(2-hydroxyethoxy)-6-(1-methylpyrazole-4-carbonyl)isoindol-1-one
CID 137498101
6-acetyl-3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-3-[[1-(2-hydroxyethoxy)cyclopropyl]methoxy]isoindol-1-one
CID 135282562
6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclobutyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282834
(3R)-3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-3-[dihydroxy-[1-(trihydroxymethyl)cyclopropyl]methoxy]-4-fluoro-6-(2-hydroxypropan-2-yl)isoindol-1-one
CID 145283199
1-[[5-bromo-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
CID 135283101
6-[[1-(4-chlorophenyl)-7-fluoro-1-(2-methoxyethoxy)-5-(1-methylimidazole-4-carbonyl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 137498068
6-[[(1R)-5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282594
N-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxy-1-methoxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropanecarboxamide
CID 150029434
(2S)-3-[5-bromo-1-(4-chlorophenyl)-7-fluoro-2-[(5-methyl-2-pyridinyl)methyl]-3-oxoisoindol-1-yl]oxy-2-methylpropanoic acid
CID 145283020

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide (CID 135282786) is (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide is CON(C)C(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cn1)[C@@]2(OC)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide?
The InChIKey is GARXXBAYOJALQE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20Cl2FN3O4/c1-29(34-3)22(31)14-10-19-21(20(27)11-14)24(33-2,15-4-6-16(25)7-5-15)30(23(19)32)13-18-9-8-17(26)12-28-18/h4-12H,13H2,1-3H3/t24-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide?
(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide has a molecular weight of 504.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-N,1-dimethoxy-N-methyl-3-oxoisoindole-5-carboxamide is sourced from PubChem (CID 135282786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).