2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide

C19H21Cl2NO2 — CID 132762013

IUPAC2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-17(24-18-8-4-3-7-16(18)21)19(23)22-13-5-6-14-9-11-15(20)12-10-14/h3-4,7-12,17H,2,5-6,13H2,1H3,(H,22,23)
InChIKeyINQOWLRNPWIFBN-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.90
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide

2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide (PubChem CID 132762013) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
PubChem CID132762013
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-17(24-18-8-4-3-7-16(18)21)19(23)22-13-5-6-14-9-11-15(20)12-10-14/h3-4,7-12,17H,2,5-6,13H2,1H3,(H,22,23)
InChIKeyINQOWLRNPWIFBN-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.90
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

(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide (CID 132762013) is 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide?
The InChIKey is INQOWLRNPWIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-2-17(24-18-8-4-3-7-16(18)21)19(23)22-13-5-6-14-9-11-15(20)12-10-14/h3-4,7-12,17H,2,5-6,13H2,1H3,(H,22,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide?
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide has a molecular weight of 366.29 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide is sourced from PubChem (CID 132762013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).