4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

C19H21ClN2O4 — CID 17218257

IUPAC4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-13(26-17-9-5-15(20)6-10-17)18(23)22-16-7-3-14(4-8-16)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLRCIHOXLYUTIY-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.12
Rot. Bonds8

About 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 17218257) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID17218257
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-13(26-17-9-5-15(20)6-10-17)18(23)22-16-7-3-14(4-8-16)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLRCIHOXLYUTIY-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 17218257) is 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is HLRCIHOXLYUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(26-17-9-5-15(20)6-10-17)18(23)22-16-7-3-14(4-8-16)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 376.84 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17218257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).