N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide

C20H22ClNO3 — CID 10067044

IUPACN-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C20H22ClNO3/c1-13-6-5-9-16(21)19(13)22-20(23)14-10-11-17(24-2)18(12-14)25-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyJWCOFKQKXWVJRT-UHFFFAOYSA-N
MW359.85 g/mol
LogP5.23
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide

N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 10067044) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID10067044
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C20H22ClNO3/c1-13-6-5-9-16(21)19(13)22-20(23)14-10-11-17(24-2)18(12-14)25-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyJWCOFKQKXWVJRT-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.85
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide (CID 10067044) is N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is JWCOFKQKXWVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13-6-5-9-16(21)19(13)22-20(23)14-10-11-17(24-2)18(12-14)25-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide?
N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 359.85 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 10067044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).