N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide

C14H18ClNO — CID 114303000

IUPACN-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C14H18ClNO/c1-10-5-2-3-7-12(10)14(17)16-9-11-6-4-8-13(11)15/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyRTPBPHHXNOYOMU-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.13
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide

N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide (PubChem CID 114303000) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
PubChem CID114303000
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C14H18ClNO/c1-10-5-2-3-7-12(10)14(17)16-9-11-6-4-8-13(11)15/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyRTPBPHHXNOYOMU-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113272641
N-[(2-chlorocyclopentyl)methyl]-2-methyl-3-nitrobenzamide
CID 114303186
N-[[(1R,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl]-2-methylbenzamide
CID 7120208
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide (CID 114303000) is N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide?
The InChIKey is RTPBPHHXNOYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-5-2-3-7-12(10)14(17)16-9-11-6-4-8-13(11)15/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide?
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide has a molecular weight of 251.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 114303000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).