N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide

C16H14Cl2FNO2 — CID 43905967

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-2-14(22-15-6-4-3-5-11(15)17)16(21)20-10-7-8-13(19)12(18)9-10/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyGKZYTUSBKTVQIA-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.93
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide

N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide (PubChem CID 43905967) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
PubChem CID43905967
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-2-14(22-15-6-4-3-5-11(15)17)16(21)20-10-7-8-13(19)12(18)9-10/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyGKZYTUSBKTVQIA-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide (CID 43905967) is N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide is CCC(Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide?
The InChIKey is GKZYTUSBKTVQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-2-14(22-15-6-4-3-5-11(15)17)16(21)20-10-7-8-13(19)12(18)9-10/h3-9,14H,2H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide?
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide has a molecular weight of 342.20 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide is sourced from PubChem (CID 43905967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).