2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

C16H15ClN2O2 — CID 107211457

IUPAC2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1cccc(Cl)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H15ClN2O2/c17-11-6-3-7-12(18)14(11)16(21)19-15-10-5-2-1-4-9(10)8-13(15)20/h1-7,13,15,20H,8,18H2,(H,19,21)/t13-,15+/m0/s1
InChIKeyLCJNFGZJBHPPQU-DZGCQCFKSA-N
MW302.76 g/mol
LogP2.31
Rot. Bonds2

About 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 107211457) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID107211457
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1cccc(Cl)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H15ClN2O2/c17-11-6-3-7-12(18)14(11)16(21)19-15-10-5-2-1-4-9(10)8-13(15)20/h1-7,13,15,20H,8,18H2,(H,19,21)/t13-,15+/m0/s1
InChIKeyLCJNFGZJBHPPQU-DZGCQCFKSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211481
2-bromo-6-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 115867109
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 107211457) is 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is Nc1cccc(Cl)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is LCJNFGZJBHPPQU-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-11-6-3-7-12(18)14(11)16(21)19-15-10-5-2-1-4-9(10)8-13(15)20/h1-7,13,15,20H,8,18H2,(H,19,21)/t13-,15+/m0/s1.
What are the key properties of 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 107211457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).