N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide

C12H16ClNO2 — CID 63395129

IUPACN-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-14(9-8-13)12(15)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyKEHMZJJCIBWZAY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.40
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide

N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide (PubChem CID 63395129) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
PubChem CID63395129
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-14(9-8-13)12(15)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyKEHMZJJCIBWZAY-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.40
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-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 12768666
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
[4-[1,2-bis(4-methoxyphenyl)but-1-enyl]phenyl] N,N-bis(2-chloroethyl)carbamate
CID 70442648
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide (CID 63395129) is N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide is CCN(CCCl)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide?
The InChIKey is KEHMZJJCIBWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-14(9-8-13)12(15)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide?
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 63395129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).