2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide

C19H22ClNO2 — CID 2933095

IUPAC2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(23-18-12-7-11-17(20)14-18)19(22)21-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,21,22)
InChIKeyXRBFODXBZXCQRR-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.25
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide

2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide (PubChem CID 2933095) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
PubChem CID2933095
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(23-18-12-7-11-17(20)14-18)19(22)21-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,21,22)
InChIKeyXRBFODXBZXCQRR-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.25
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-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
[2-(3-Chloro-4-methyl-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10450892
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-(4-Methoxyphenoxy)-N-(2-phenylethyl)ethanimidic acid
CID 210238
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-[(1R,2S)-2-(5-Chloro-2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-2-cyano-butyramide
CID 44288674
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
N-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide (CID 2933095) is 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide?
The InChIKey is XRBFODXBZXCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-15(23-18-12-7-11-17(20)14-18)19(22)21-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide?
2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide is sourced from PubChem (CID 2933095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).