N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide

C20H23F2NO — CID 19980945

IUPACN-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C20H23F2NO/c1-20(2,3)19(24)23(18-12-11-16(21)14-17(18)22)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyUMNYCLADAKLJCV-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.98
Rot. Bonds5

About N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide

N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide (PubChem CID 19980945) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
PubChem CID19980945
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC NameN-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C20H23F2NO/c1-20(2,3)19(24)23(18-12-11-16(21)14-17(18)22)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3
InChIKeyUMNYCLADAKLJCV-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
CID 71580940
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579565
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
3-[N-(2,2-dimethylpropanoyl)-3-fluoroanilino]propanoic acid
CID 28764336
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
CID 174394357
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
CID 111335375

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide (CID 19980945) is N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide is CC(C)(C)C(=O)N(CCCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The InChIKey is UMNYCLADAKLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c1-20(2,3)19(24)23(18-12-11-16(21)14-17(18)22)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide?
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide has a molecular weight of 331.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 19980945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).