2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide

C14H18ClNO2 — CID 39366816

IUPAC2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1OCC)C(=O)CCl
InChIInChI=1S/C14H18ClNO2/c1-3-9-16(14(17)10-15)11-12-7-5-6-8-13(12)18-4-2/h3,5-8H,1,4,9-11H2,2H3
InChIKeyBJXLJBHFNGMNJS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds7

About 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide

2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 39366816) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
PubChem CID39366816
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1OCC)C(=O)CCl
InChIInChI=1S/C14H18ClNO2/c1-3-9-16(14(17)10-15)11-12-7-5-6-8-13(12)18-4-2/h3,5-8H,1,4,9-11H2,2H3
InChIKeyBJXLJBHFNGMNJS-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
N-[(2-ethoxyphenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 154880571
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
CID 82108611
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
2-chloro-N-(6-propan-2-yl-1,3-benzodioxol-5-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 153435179
N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
CID 50967845
[2-[[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]methyl]phenyl] but-3-enoate
CID 11301990
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide (CID 39366816) is 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1OCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is BJXLJBHFNGMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-9-16(14(17)10-15)11-12-7-5-6-8-13(12)18-4-2/h3,5-8H,1,4,9-11H2,2H3.
What are the key properties of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide?
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 267.76 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 39366816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).