3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide

C18H20F2N2O — CID 119816053

IUPAC3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)16(14-8-7-12(19)10-15(14)20)22-17(23)11-5-4-6-13(21)9-11/h4-10,16H,21H2,1-3H3,(H,22,23)
InChIKeyOQJVKEYRLJRUBT-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.06
Rot. Bonds3

About 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide

3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide (PubChem CID 119816053) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
PubChem CID119816053
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)16(14-8-7-12(19)10-15(14)20)22-17(23)11-5-4-6-13(21)9-11/h4-10,16H,21H2,1-3H3,(H,22,23)
InChIKeyOQJVKEYRLJRUBT-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
CID 97070029
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119816063
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide (CID 119816053) is 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide is CC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide?
The InChIKey is OQJVKEYRLJRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-18(2,3)16(14-8-7-12(19)10-15(14)20)22-17(23)11-5-4-6-13(21)9-11/h4-10,16H,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide?
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide has a molecular weight of 318.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 119816053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).