(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

C19H21ClFNO2 — CID 7703445

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H21ClFNO2/c1-12(18(23)22-17-10-7-14(21)11-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1
InChIKeyMWGIYZIBIWVAAD-GFCCVEGCSA-N
MW349.83 g/mol
LogP5.18
Rot. Bonds4

About (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 7703445) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID7703445
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H21ClFNO2/c1-12(18(23)22-17-10-7-14(21)11-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1
InChIKeyMWGIYZIBIWVAAD-GFCCVEGCSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855481
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (CID 7703445) is (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is MWGIYZIBIWVAAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-12(18(23)22-17-10-7-14(21)11-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 349.83 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 7703445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).