3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide

C20H24ClNO2 — CID 19220836

IUPAC3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
SMILESCCCCCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2/c1-2-3-4-15-24-19-12-10-18(11-13-19)22-20(23)14-7-16-5-8-17(21)9-6-16/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,22,23)
InChIKeySVEBTTRSZMJNKA-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.48
Rot. Bonds9

About 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide

3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide (PubChem CID 19220836) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
PubChem CID19220836
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
SMILESCCCCCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2/c1-2-3-4-15-24-19-12-10-18(11-13-19)22-20(23)14-7-16-5-8-17(21)9-6-16/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,22,23)
InChIKeySVEBTTRSZMJNKA-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.48
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

3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
N-(4-decoxyphenyl)butanamide
CID 143303175
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
CID 5237210
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-octoxyphenyl)propanamide
CID 58031341
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide (CID 19220836) is 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide is CCCCCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide?
The InChIKey is SVEBTTRSZMJNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-2-3-4-15-24-19-12-10-18(11-13-19)22-20(23)14-7-16-5-8-17(21)9-6-16/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide?
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide has a molecular weight of 345.87 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide is sourced from PubChem (CID 19220836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).