2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide

C18H19Cl2NO3 — CID 133239938

IUPAC2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-15(24-17-10-6-4-8-14(17)20)18(22)21-11-12-23-16-9-5-3-7-13(16)19/h3-10,15H,2,11-12H2,1H3,(H,21,22)
InChIKeyVKMXTAXDDRJWPE-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.35
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide

2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide (PubChem CID 133239938) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
PubChem CID133239938
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-15(24-17-10-6-4-8-14(17)20)18(22)21-11-12-23-16-9-5-3-7-13(16)19/h3-10,15H,2,11-12H2,1H3,(H,21,22)
InChIKeyVKMXTAXDDRJWPE-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide (CID 133239938) is 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The InChIKey is VKMXTAXDDRJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-2-15(24-17-10-6-4-8-14(17)20)18(22)21-11-12-23-16-9-5-3-7-13(16)19/h3-10,15H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide has a molecular weight of 368.26 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide is sourced from PubChem (CID 133239938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).