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

C29H27ClF2N2O3 — CID 170188737

IUPAC(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-hydroxy-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](O)C2
InChIInChI=1S/C29H27ClF2N2O3/c1-33-28(36)19-11-15-10-17(35)12-18(15)27(32)25(19)24-20-14-29(23-8-5-9-34-23,16-6-3-2-4-7-16)37-22(20)13-21(31)26(24)30/h2-4,6-7,11,13,17,23,34-35H,5,8-10,12,14H2,1H3,(H,33,36)/t17-,23+,29+/m1/s1
InChIKeyQFFWLDLZUQUSMB-GVQLWFBZSA-N
MW525.00 g/mol
LogP4.69
Rot. Bonds4

About (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-hydroxy-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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 170188737) has the molecular formula C29H27ClF2N2O3 and a molecular weight of 525.00 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-hydroxy-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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID170188737
Molecular FormulaC29H27ClF2N2O3
Molecular Weight525.00 g/mol
Exact Mass524.17
IUPAC Name(2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-hydroxy-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](O)C2
InChIInChI=1S/C29H27ClF2N2O3/c1-33-28(36)19-11-15-10-17(35)12-18(15)27(32)25(19)24-20-14-29(23-8-5-9-34-23,16-6-3-2-4-7-16)37-22(20)13-21(31)26(24)30/h2-4,6-7,11,13,17,23,34-35H,5,8-10,12,14H2,1H3,(H,33,36)/t17-,23+,29+/m1/s1
InChIKeyQFFWLDLZUQUSMB-GVQLWFBZSA-N
XLogP4.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.00
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-hydroxy-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-hydroxy-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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 170188737) is (2R)-6-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-7-fluoro-2-hydroxy-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-hydroxy-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-hydroxy-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](O)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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is QFFWLDLZUQUSMB-GVQLWFBZSA-N. The full InChI is InChI=1S/C29H27ClF2N2O3/c1-33-28(36)19-11-15-10-17(35)12-18(15)27(32)25(19)24-20-14-29(23-8-5-9-34-23,16-6-3-2-4-7-16)37-22(20)13-21(31)26(24)30/h2-4,6-7,11,13,17,23,34-35H,5,8-10,12,14H2,1H3,(H,33,36)/t17-,23+,29+/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-hydroxy-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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 525.00 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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-hydroxy-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 170188737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).