(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide

C20H29ClN2O — CID 171443182

IUPAC(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC(C)(C)[C@H]1C(=O)N(C)C
InChIInChI=1S/C20H29ClN2O/c1-12(2)16-15(10-13-8-7-9-14(21)17(13)16)23-11-20(3,4)18(23)19(24)22(5)6/h7-9,12,15-16,18H,10-11H2,1-6H3/t15-,16+,18-/m1/s1
InChIKeyRELVEVFEGRVQCQ-SOLBZPMBSA-N
MW348.92 g/mol
LogP3.80
Rot. Bonds3

About (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide

(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide (PubChem CID 171443182) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide
PubChem CID171443182
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC(C)(C)[C@H]1C(=O)N(C)C
InChIInChI=1S/C20H29ClN2O/c1-12(2)16-15(10-13-8-7-9-14(21)17(13)16)23-11-20(3,4)18(23)19(24)22(5)6/h7-9,12,15-16,18H,10-11H2,1-6H3/t15-,16+,18-/m1/s1
InChIKeyRELVEVFEGRVQCQ-SOLBZPMBSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-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 (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide (CID 171443182) is (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide is CC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC(C)(C)[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide?
The InChIKey is RELVEVFEGRVQCQ-SOLBZPMBSA-N. The full InChI is InChI=1S/C20H29ClN2O/c1-12(2)16-15(10-13-8-7-9-14(21)17(13)16)23-11-20(3,4)18(23)19(24)22(5)6/h7-9,12,15-16,18H,10-11H2,1-6H3/t15-,16+,18-/m1/s1.
What are the key properties of (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide?
(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide has a molecular weight of 348.92 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N,3,3-tetramethylazetidine-2-carboxamide is sourced from PubChem (CID 171443182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).