2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide

C22H17ClF2N2O3 — CID 156856206

IUPAC2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(-c2c(Cl)c(F)cc3c2CC(c2cccc(=O)[nH]2)C3)c1F
InChIInChI=1S/C22H17ClF2N2O3/c1-30-16-6-5-12(22(26)29)19(21(16)25)18-13-8-11(15-3-2-4-17(28)27-15)7-10(13)9-14(24)20(18)23/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28)
InChIKeyZNQSLDOJOVGPHE-UHFFFAOYSA-N
MW430.84 g/mol
LogP3.96
Rot. Bonds4

About 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide

2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide (PubChem CID 156856206) has the molecular formula C22H17ClF2N2O3 and a molecular weight of 430.84 g/mol. Its IUPAC name is 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound Name2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide
PubChem CID156856206
Molecular FormulaC22H17ClF2N2O3
Molecular Weight430.84 g/mol
Exact Mass430.09
IUPAC Name2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(-c2c(Cl)c(F)cc3c2CC(c2cccc(=O)[nH]2)C3)c1F
InChIInChI=1S/C22H17ClF2N2O3/c1-30-16-6-5-12(22(26)29)19(21(16)25)18-13-8-11(15-3-2-4-17(28)27-15)7-10(13)9-14(24)20(18)23/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28)
InChIKeyZNQSLDOJOVGPHE-UHFFFAOYSA-N
XLogP3.96
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide;N-methylmethanamine
CID 156856205
[(2S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl-methylcarbamic acid
CID 166749067
methyl N-tert-butyl-N-[[4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl]carbamate
CID 156855513
2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine
CID 156856090
tert-butyl N-[[(2S,3S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-3-methyl-2-phenyl-3H-1-benzofuran-2-yl]methyl]-N-methylcarbamate
CID 158181296
methyl N-[[4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3-(phenylmethoxymethyl)-3H-1-benzofuran-2-yl]methyl]carbamate
CID 156856439
2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-inden-4-yl)-3-fluoro-4-propoxybenzonitrile;ethane;methanamine
CID 176938832
2-[5-chloro-2-[(cyclopropylmethylamino)methyl]-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 156855703
2-[(2S)-5-chloro-6-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-methoxybenzoic acid
CID 172515680
tert-butyl N-[2-[[4-[[(2S,3S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-3-methyl-2-phenyl-3H-1-benzofuran-2-yl]methylamino]cyclohexanecarbonyl]amino]ethyl]carbamate
CID 177361673
4-chloro-2-methoxybenzamide
CID 19741766
2-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
CID 157340416

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide (CID 156856206) is 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(N)=O)c(-c2c(Cl)c(F)cc3c2CC(c2cccc(=O)[nH]2)C3)c1F.
What is the InChIKey of 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide?
The InChIKey is ZNQSLDOJOVGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O3/c1-30-16-6-5-12(22(26)29)19(21(16)25)18-13-8-11(15-3-2-4-17(28)27-15)7-10(13)9-14(24)20(18)23/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28).
What are the key properties of 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide?
2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide has a molecular weight of 430.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 156856206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).