2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide

C13H18ClNO2 — CID 62224047

IUPAC2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cccc(OCC)c1
InChIInChI=1S/C13H18ClNO2/c1-3-8-15-13(16)12(14)10-6-5-7-11(9-10)17-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyJEWVXQYHLMMRII-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.89
Rot. Bonds6

About 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide

2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide (PubChem CID 62224047) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
PubChem CID62224047
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1cccc(OCC)c1
InChIInChI=1S/C13H18ClNO2/c1-3-8-15-13(16)12(14)10-6-5-7-11(9-10)17-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyJEWVXQYHLMMRII-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.89
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

ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide (CID 62224047) is 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide is CCCNC(=O)C(Cl)c1cccc(OCC)c1.
What is the InChIKey of 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide?
The InChIKey is JEWVXQYHLMMRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-8-15-13(16)12(14)10-6-5-7-11(9-10)17-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide?
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide has a molecular weight of 255.74 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide is sourced from PubChem (CID 62224047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).