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

C17H17ClFNO2 — CID 4928544

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-15(19)14(18)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyDTMJKIWHJOCHMS-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.58
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 4928544) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
PubChem CID4928544
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-15(19)14(18)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyDTMJKIWHJOCHMS-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
ethyl 2-chloro-5-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 99954884
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide (CID 4928544) is N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is DTMJKIWHJOCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-15(19)14(18)10-12/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide?
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 321.78 g/mol, XLogP of 4.58, 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-(3-methylphenoxy)butanamide is sourced from PubChem (CID 4928544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).