N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide

C18H19F2NO — CID 174373739

IUPACN-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
SMILESCC(C)(CCc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO/c1-18(2,11-10-13-6-4-3-5-7-13)17(22)21-16-9-8-14(19)12-15(16)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyODMQUTMSBIRXIA-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.56
Rot. Bonds5

About N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide

N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide (PubChem CID 174373739) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
PubChem CID174373739
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC NameN-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
SMILESCC(C)(CCc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO/c1-18(2,11-10-13-6-4-3-5-7-13)17(22)21-16-9-8-14(19)12-15(16)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyODMQUTMSBIRXIA-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide
CID 3347125
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide (CID 174373739) is N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide is CC(C)(CCc1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide?
The InChIKey is ODMQUTMSBIRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-18(2,11-10-13-6-4-3-5-7-13)17(22)21-16-9-8-14(19)12-15(16)20/h3-9,12H,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide?
N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide has a molecular weight of 303.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide is sourced from PubChem (CID 174373739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).