2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide

C17H17ClFNO2 — CID 17068388

IUPAC2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c1-2-16(22-14-8-5-7-13(18)10-14)17(21)20-11-12-6-3-4-9-15(12)19/h3-10,16H,2,11H2,1H3,(H,20,21)
InChIKeyFEGYACCBEONDOH-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.95
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide

2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 17068388) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID17068388
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c1-2-16(22-14-8-5-7-13(18)10-14)17(21)20-11-12-6-3-4-9-15(12)19/h3-10,16H,2,11H2,1H3,(H,20,21)
InChIKeyFEGYACCBEONDOH-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 29057267
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide (CID 17068388) is 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is FEGYACCBEONDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-2-16(22-14-8-5-7-13(18)10-14)17(21)20-11-12-6-3-4-9-15(12)19/h3-10,16H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 321.78 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 17068388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).