3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C18H18ClNO2 — CID 11232317

IUPAC3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCC1CCc2ccccc2C1NC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C18H18ClNO2/c1-11-9-10-12-5-2-3-6-13(12)16(11)20-18(22)14-7-4-8-15(19)17(14)21/h2-8,11,16,21H,9-10H2,1H3,(H,20,22)
InChIKeyMBGFFYGMIRQHJW-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.10
Rot. Bonds2

About 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 11232317) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID11232317
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCC1CCc2ccccc2C1NC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C18H18ClNO2/c1-11-9-10-12-5-2-3-6-13(12)16(11)20-18(22)14-7-4-8-15(19)17(14)21/h2-8,11,16,21H,9-10H2,1H3,(H,20,22)
InChIKeyMBGFFYGMIRQHJW-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
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
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
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
CID 126839968
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 11232317) is 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CC1CCc2ccccc2C1NC(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is MBGFFYGMIRQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-11-9-10-12-5-2-3-6-13(12)16(11)20-18(22)14-7-4-8-15(19)17(14)21/h2-8,11,16,21H,9-10H2,1H3,(H,20,22).
What are the key properties of 3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 315.80 g/mol, XLogP of 4.10, 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-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 11232317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).