(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide

C19H22FNO2 — CID 99131421

IUPAC(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-18(23-17-11-7-15(20)8-12-17)19(22)21-16-9-5-14(6-10-16)13(2)3/h5-13,18H,4H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyRLXXOTVFPBRTDV-SFHVURJKSA-N
MW315.39 g/mol
LogP4.75
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 99131421) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID99131421
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-18(23-17-11-7-15(20)8-12-17)19(22)21-16-9-5-14(6-10-16)13(2)3/h5-13,18H,4H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyRLXXOTVFPBRTDV-SFHVURJKSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
CID 46763449
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide (CID 99131421) is (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is RLXXOTVFPBRTDV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-18(23-17-11-7-15(20)8-12-17)19(22)21-16-9-5-14(6-10-16)13(2)3/h5-13,18H,4H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 315.39 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 99131421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).