N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide

C15H22ClNO2 — CID 114306598

IUPACN-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(CC)CCCl
InChIInChI=1S/C15H22ClNO2/c1-3-12(9-10-16)11-17-15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyOOJIBQIZXMWIFJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds8

About N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide

N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide (PubChem CID 114306598) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
PubChem CID114306598
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(CC)CCCl
InChIInChI=1S/C15H22ClNO2/c1-3-12(9-10-16)11-17-15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyOOJIBQIZXMWIFJ-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
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

N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
CID 107157094
N-[(2S)-3,3-dimethyl-2-methylsulfanylbutyl]-2-ethoxybenzamide
CID 97350853
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
N-[(E)-4-chlorobut-2-enyl]-2-ethoxybenzamide
CID 81430637
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide (CID 114306598) is N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(CC)CCCl.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide?
The InChIKey is OOJIBQIZXMWIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-12(9-10-16)11-17-15(18)13-7-5-6-8-14(13)19-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide?
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide is sourced from PubChem (CID 114306598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).