2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide

C12H16ClNO3 — CID 43346919

IUPAC2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Cl)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-17-10-6-5-9(7-11(10)16-3)14-12(15)8(2)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyAUXPRCHZHIQZTB-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.66
Rot. Bonds5

About 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide

2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 43346919) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID43346919
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Cl)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-17-10-6-5-9(7-11(10)16-3)14-12(15)8(2)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyAUXPRCHZHIQZTB-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 39729674
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide (CID 43346919) is 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(NC(=O)C(C)Cl)cc1OC.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is AUXPRCHZHIQZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-17-10-6-5-9(7-11(10)16-3)14-12(15)8(2)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide?
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 43346919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).