(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

C16H15F2NO2 — CID 9097735

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyDWJSZCDETKXBPN-NSHDSACASA-N
MW291.30 g/mol
LogP3.68
Rot. Bonds4

About (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 9097735) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID9097735
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyDWJSZCDETKXBPN-NSHDSACASA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 86918507
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (CID 9097735) is (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is DWJSZCDETKXBPN-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 291.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 9097735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).