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

C19H27ClN2O — CID 171443174

IUPAC(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C19H27ClN2O/c1-12(2)17-16(11-13-7-5-8-14(20)18(13)17)22-10-6-9-15(22)19(23)21(3)4/h5,7-8,12,15-17H,6,9-11H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyUUPHTEJHZGDFKP-BBWFWOEESA-N
MW334.89 g/mol
LogP3.56
Rot. Bonds3

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

(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 171443174) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 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-dimethylpyrrolidine-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-dimethylpyrrolidine-2-carboxamide
PubChem CID171443174
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CCC[C@H]1C(=O)N(C)C
InChIInChI=1S/C19H27ClN2O/c1-12(2)17-16(11-13-7-5-8-14(20)18(13)17)22-10-6-9-15(22)19(23)21(3)4/h5,7-8,12,15-17H,6,9-11H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyUUPHTEJHZGDFKP-BBWFWOEESA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-dimethylpyrrolidine-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-dimethylpyrrolidine-2-carboxamide (CID 171443174) is (2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylpyrrolidine-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-dimethylpyrrolidine-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-dimethylpyrrolidine-2-carboxamide is CC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CCC[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-dimethylpyrrolidine-2-carboxamide?
The InChIKey is UUPHTEJHZGDFKP-BBWFWOEESA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-12(2)17-16(11-13-7-5-8-14(20)18(13)17)22-10-6-9-15(22)19(23)21(3)4/h5,7-8,12,15-17H,6,9-11H2,1-4H3/t15-,16+,17-/m0/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-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.56, 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-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 171443174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).