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

C17H16ClNO3 — CID 75518781

IUPAC2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1Cl)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H16ClNO3/c18-14-9-12(20)6-5-11(14)8-16(22)19-17-13-4-2-1-3-10(13)7-15(17)21/h1-6,9,15,17,20-21H,7-8H2,(H,19,22)/t15-,17+/m0/s1
InChIKeyYRISAQDLOPWFRU-DOTOQJQBSA-N
MW317.77 g/mol
LogP2.36
Rot. Bonds3

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

2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 75518781) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID75518781
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1Cl)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H16ClNO3/c18-14-9-12(20)6-5-11(14)8-16(22)19-17-13-4-2-1-3-10(13)7-15(17)21/h1-6,9,15,17,20-21H,7-8H2,(H,19,22)/t15-,17+/m0/s1
InChIKeyYRISAQDLOPWFRU-DOTOQJQBSA-N
XLogP2.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110903629
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 136516477
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211481
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 75518781) is 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(Cc1ccc(O)cc1Cl)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is YRISAQDLOPWFRU-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-14-9-12(20)6-5-11(14)8-16(22)19-17-13-4-2-1-3-10(13)7-15(17)21/h1-6,9,15,17,20-21H,7-8H2,(H,19,22)/t15-,17+/m0/s1.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 317.77 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 75518781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).