2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

C17H16ClNO2 — CID 106509864

IUPAC2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-10-6-7-13(14(18)8-10)17(21)19-16-12-5-3-2-4-11(12)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyCMFCEYHPOWKCEK-JKSUJKDBSA-N
MW301.77 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide (PubChem CID 106509864) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
PubChem CID106509864
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-10-6-7-13(14(18)8-10)17(21)19-16-12-5-3-2-4-11(12)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyCMFCEYHPOWKCEK-JKSUJKDBSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166375745
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide (CID 106509864) is 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The InChIKey is CMFCEYHPOWKCEK-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-6-7-13(14(18)8-10)17(21)19-16-12-5-3-2-4-11(12)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide has a molecular weight of 301.77 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide is sourced from PubChem (CID 106509864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).