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

C24H24ClF2N3O3 — CID 156856205

IUPAC2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1ccc(C(N)=O)c(-c2c(Cl)c(F)cc3c2CC(c2cccc(=O)[nH]2)C3)c1F
InChIInChI=1S/C22H17ClF2N2O3.C2H7N/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;1-3-2/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28);3H,1-2H3
InChIKeyNQCDEIOOPYMTKA-UHFFFAOYSA-N
MW475.92 g/mol
LogP3.80
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;N-methylmethanamine

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 (PubChem CID 156856205) has the molecular formula C24H24ClF2N3O3 and a molecular weight of 475.92 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;N-methylmethanamine.

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;N-methylmethanamine
PubChem CID156856205
Molecular FormulaC24H24ClF2N3O3
Molecular Weight475.92 g/mol
Exact Mass475.15
IUPAC Name2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1ccc(C(N)=O)c(-c2c(Cl)c(F)cc3c2CC(c2cccc(=O)[nH]2)C3)c1F
InChIInChI=1S/C22H17ClF2N2O3.C2H7N/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;1-3-2/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28);3H,1-2H3
InChIKeyNQCDEIOOPYMTKA-UHFFFAOYSA-N
XLogP3.80
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

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
CID 156856206
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
[(2S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl-methylcarbamic acid
CID 166749067
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-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
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-[[[4-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-6-fluoro-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-methoxybenzamide
CID 178175291
methyl N-[1-[4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3-(phenylmethoxymethyl)-3H-1-benzofuran-2-yl]-2,2-dimethylpropyl]carbamate
CID 166068370

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;N-methylmethanamine?
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;N-methylmethanamine (CID 156856205) is 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.
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;N-methylmethanamine?
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;N-methylmethanamine is CNC.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;N-methylmethanamine?
The InChIKey is NQCDEIOOPYMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O3.C2H7N/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;1-3-2/h2-6,9,11H,7-8H2,1H3,(H2,26,29)(H,27,28);3H,1-2H3.
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;N-methylmethanamine?
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 has a molecular weight of 475.92 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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;N-methylmethanamine is sourced from PubChem (CID 156856205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).