3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

C17H16ClNO2 — CID 167578761

IUPAC3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C17H16ClNO2/c1-10-5-7-12-11(9-10)6-8-15(12)19-17(21)13-3-2-4-14(18)16(13)20/h2-5,7,9,15,20H,6,8H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyZQDMJHJXZVCOHD-OAHLLOKOSA-N
MW301.77 g/mol
LogP3.77
Rot. Bonds2

About 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 167578761) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID167578761
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C17H16ClNO2/c1-10-5-7-12-11(9-10)6-8-15(12)19-17(21)13-3-2-4-14(18)16(13)20/h2-5,7,9,15,20H,6,8H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyZQDMJHJXZVCOHD-OAHLLOKOSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
2-hydroxy-6-methoxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581888
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (CID 167578761) is 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is ZQDMJHJXZVCOHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-5-7-12-11(9-10)6-8-15(12)19-17(21)13-3-2-4-14(18)16(13)20/h2-5,7,9,15,20H,6,8H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 301.77 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 167578761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).