N-(3,5-dichlorophenyl)-2-phenoxybutanamide

C16H15Cl2NO2 — CID 4099409

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

About N-(3,5-dichlorophenyl)-2-phenoxybutanamide

N-(3,5-dichlorophenyl)-2-phenoxybutanamide (PubChem CID 4099409) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-phenoxybutanamide
PubChem CID4099409
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(3,5-dichlorophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-2-15(21-14-6-4-3-5-7-14)16(20)19-13-9-11(17)8-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyGEQNSPYGMJJPBU-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

(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
methyl 2-chloro-5-[[(2R)-2-phenoxybutanoyl]amino]benzoate
CID 40747377
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-phenoxybutanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-phenoxybutanamide (CID 4099409) is N-(3,5-dichlorophenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-phenoxybutanamide?
The InChIKey is GEQNSPYGMJJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-15(21-14-6-4-3-5-7-14)16(20)19-13-9-11(17)8-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-2-phenoxybutanamide?
N-(3,5-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-(3,5-dichlorophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 4099409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).