5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide

C15H20ClNO3 — CID 111425951

IUPAC5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H20ClNO3/c1-20-14-7-6-11(16)8-12(14)15(19)17-9-13(18)10-4-2-3-5-10/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyODKYUUKAOXHHPZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.63
Rot. Bonds5

About 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide

5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 111425951) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
PubChem CID111425951
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C15H20ClNO3/c1-20-14-7-6-11(16)8-12(14)15(19)17-9-13(18)10-4-2-3-5-10/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyODKYUUKAOXHHPZ-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
CID 111120000
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide (CID 111425951) is 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(O)C1CCCC1.
What is the InChIKey of 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is ODKYUUKAOXHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-14-7-6-11(16)8-12(14)15(19)17-9-13(18)10-4-2-3-5-10/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide?
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 111425951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).