N-(2,5-dichlorophenyl)-2-phenoxybutanamide

C16H15Cl2NO2 — CID 2886435

IUPACN-(2,5-dichlorophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-14-10-11(17)8-9-13(14)18/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyHXDYPMXAVCUBKI-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.79
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-phenoxybutanamide

N-(2,5-dichlorophenyl)-2-phenoxybutanamide (PubChem CID 2886435) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-phenoxybutanamide
PubChem CID2886435
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(2,5-dichlorophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-14-10-11(17)8-9-13(14)18/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyHXDYPMXAVCUBKI-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 92685827
(2R)-N-(2,6-dichlorophenyl)-2-phenoxybutanamide
CID 7890128

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-phenoxybutanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-phenoxybutanamide (CID 2886435) is N-(2,5-dichlorophenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-phenoxybutanamide?
The InChIKey is HXDYPMXAVCUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-14-10-11(17)8-9-13(14)18/h3-10,15H,2H2,1H3,(H,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-2-phenoxybutanamide?
N-(2,5-dichlorophenyl)-2-phenoxybutanamide has a molecular weight of 324.21 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 2886435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).