2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide

C16H22ClNO2 — CID 91774714

IUPAC2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)c2cccc(C)c2Cl)CCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-7-13(14(12)17)15(19)18-10-16(11-20-2)8-3-4-9-16/h5-7H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeySRNGPIGFPOYVKZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide

2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide (PubChem CID 91774714) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
PubChem CID91774714
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)c2cccc(C)c2Cl)CCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-7-13(14(12)17)15(19)18-10-16(11-20-2)8-3-4-9-16/h5-7H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeySRNGPIGFPOYVKZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
2-chloro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 109399417
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131926247
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71968263
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 122566145
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 100730258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide (CID 91774714) is 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide is COCC1(CNC(=O)c2cccc(C)c2Cl)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide?
The InChIKey is SRNGPIGFPOYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-6-5-7-13(14(12)17)15(19)18-10-16(11-20-2)8-3-4-9-16/h5-7H,3-4,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide?
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 91774714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).