N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide

C12H16ClNO3 — CID 112685938

IUPACN-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(C)OC
InChIInChI=1S/C12H16ClNO3/c1-4-17-11-6-5-9(13)7-10(11)14-12(15)8(2)16-3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyFVUIUSAHBRDBIC-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.71
Rot. Bonds5

About N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide

N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide (PubChem CID 112685938) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
PubChem CID112685938
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(C)OC
InChIInChI=1S/C12H16ClNO3/c1-4-17-11-6-5-9(13)7-10(11)14-12(15)8(2)16-3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyFVUIUSAHBRDBIC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide (CID 112685938) is N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide is CCOc1ccc(Cl)cc1NC(=O)C(C)OC.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide?
The InChIKey is FVUIUSAHBRDBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-17-11-6-5-9(13)7-10(11)14-12(15)8(2)16-3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide?
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide has a molecular weight of 257.72 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 112685938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).