N-(4-chlorophenyl)-3-ethoxypropanamide

C11H14ClNO2 — CID 2972757

IUPACN-(4-chlorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyZUYPWOIDBOTYKY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.71
Rot. Bonds5

About N-(4-chlorophenyl)-3-ethoxypropanamide

N-(4-chlorophenyl)-3-ethoxypropanamide (PubChem CID 2972757) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-ethoxypropanamide
PubChem CID2972757
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(4-chlorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyZUYPWOIDBOTYKY-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
CID 115661464
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide
CID 55091452
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111945195
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
4-ethoxy-N-phenylbutanamide
CID 112728021
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-ethoxypropanamide?
The IUPAC name of N-(4-chlorophenyl)-3-ethoxypropanamide (CID 2972757) is N-(4-chlorophenyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-ethoxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-ethoxypropanamide?
The InChIKey is ZUYPWOIDBOTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-(4-chlorophenyl)-3-ethoxypropanamide?
N-(4-chlorophenyl)-3-ethoxypropanamide has a molecular weight of 227.69 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-ethoxypropanamide is sourced from PubChem (CID 2972757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).