N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide

C16H22ClNO2 — CID 102871986

IUPACN-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-10-4-3-9-14(15)16(19)18(12-6-11-17)13-7-5-8-13/h3-4,9-10,13H,2,5-8,11-12H2,1H3
InChIKeyKMCICNCVYPNYGX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.71
Rot. Bonds7

About N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide

N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide (PubChem CID 102871986) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
PubChem CID102871986
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-10-4-3-9-14(15)16(19)18(12-6-11-17)13-7-5-8-13/h3-4,9-10,13H,2,5-8,11-12H2,1H3
InChIKeyKMCICNCVYPNYGX-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide (CID 102871986) is N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide is CCOc1ccccc1C(=O)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide?
The InChIKey is KMCICNCVYPNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-20-15-10-4-3-9-14(15)16(19)18(12-6-11-17)13-7-5-8-13/h3-4,9-10,13H,2,5-8,11-12H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide?
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide is sourced from PubChem (CID 102871986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).