N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide

C15H20ClNO2 — CID 106365883

IUPACN-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCC2CCl)cc1
InChIInChI=1S/C15H20ClNO2/c1-2-19-13-8-6-11(7-9-13)15(18)17-14-5-3-4-12(14)10-16/h6-9,12,14H,2-5,10H2,1H3,(H,17,18)
InChIKeyIBSIYSCLYBYYJX-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide

N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide (PubChem CID 106365883) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
PubChem CID106365883
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCC2CCl)cc1
InChIInChI=1S/C15H20ClNO2/c1-2-19-13-8-6-11(7-9-13)15(18)17-14-5-3-4-12(14)10-16/h6-9,12,14H,2-5,10H2,1H3,(H,17,18)
InChIKeyIBSIYSCLYBYYJX-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide
CID 24872684
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide (CID 106365883) is N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCCC2CCl)cc1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide?
The InChIKey is IBSIYSCLYBYYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-13-8-6-11(7-9-13)15(18)17-14-5-3-4-12(14)10-16/h6-9,12,14H,2-5,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide?
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide is sourced from PubChem (CID 106365883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).