N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C19H21F2NO2 — CID 133219312

IUPACN-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H21F2NO2/c1-11(2)15-7-5-12(3)9-18(15)24-13(4)19(23)22-14-6-8-16(20)17(21)10-14/h5-11,13H,1-4H3,(H,22,23)
InChIKeyVMAJXNCKYPCIPO-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.80
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133219312) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133219312
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H21F2NO2/c1-11(2)15-7-5-12(3)9-18(15)24-13(4)19(23)22-14-6-8-16(20)17(21)10-14/h5-11,13H,1-4H3,(H,22,23)
InChIKeyVMAJXNCKYPCIPO-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160353
N-(2,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219467
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100558876
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133261993
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55821367

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133219312) is N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is VMAJXNCKYPCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-11(2)15-7-5-12(3)9-18(15)24-13(4)19(23)22-14-6-8-16(20)17(21)10-14/h5-11,13H,1-4H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 333.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133219312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).