(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C31H31ClF2N2O4 — CID 170188787

IUPAC(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCNC(=O)c1cc2c(c(F)c1-c1c(Cl)c(F)cc3c1C[C@](c1ccccc1)([C@@H]1CCCN1)O3)C[C@H](OCCO)C2
InChIInChI=1S/C31H31ClF2N2O4/c1-35-30(38)21-13-17-12-19(39-11-10-37)14-20(17)29(34)27(21)26-22-16-31(25-8-5-9-36-25,18-6-3-2-4-7-18)40-24(22)15-23(33)28(26)32/h2-4,6-7,13,15,19,25,36-37H,5,8-12,14,16H2,1H3,(H,35,38)/t19-,25+,31+/m1/s1
InChIKeyPQERNQJKUWIAMG-PVUVCFRKSA-N
MW569.05 g/mol
LogP4.70
Rot. Bonds7

About (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 170188787) has the molecular formula C31H31ClF2N2O4 and a molecular weight of 569.05 g/mol. Its IUPAC name is (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID170188787
Molecular FormulaC31H31ClF2N2O4
Molecular Weight569.05 g/mol
Exact Mass568.19
IUPAC Name(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCNC(=O)c1cc2c(c(F)c1-c1c(Cl)c(F)cc3c1C[C@](c1ccccc1)([C@@H]1CCCN1)O3)C[C@H](OCCO)C2
InChIInChI=1S/C31H31ClF2N2O4/c1-35-30(38)21-13-17-12-19(39-11-10-37)14-20(17)29(34)27(21)26-22-16-31(25-8-5-9-36-25,18-6-3-2-4-7-18)40-24(22)15-23(33)28(26)32/h2-4,6-7,13,15,19,25,36-37H,5,8-12,14,16H2,1H3,(H,35,38)/t19-,25+,31+/m1/s1
InChIKeyPQERNQJKUWIAMG-PVUVCFRKSA-N
XLogP4.70
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.05
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 170188787) is (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CNC(=O)c1cc2c(c(F)c1-c1c(Cl)c(F)cc3c1C[C@](c1ccccc1)([C@@H]1CCCN1)O3)C[C@H](OCCO)C2.
What is the InChIKey of (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PQERNQJKUWIAMG-PVUVCFRKSA-N. The full InChI is InChI=1S/C31H31ClF2N2O4/c1-35-30(38)21-13-17-12-19(39-11-10-37)14-20(17)29(34)27(21)26-22-16-31(25-8-5-9-36-25,18-6-3-2-4-7-18)40-24(22)15-23(33)28(26)32/h2-4,6-7,13,15,19,25,36-37H,5,8-12,14,16H2,1H3,(H,35,38)/t19-,25+,31+/m1/s1.
What are the key properties of (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 569.05 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-(2-hydroxyethoxy)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 170188787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).