3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide

C14H20F2N2O — CID 107120689

IUPAC3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc(F)cc(N)c1F)C(C)C
InChIInChI=1S/C14H20F2N2O/c1-8(2)7-18(9(3)4)14(19)11-5-10(15)6-12(17)13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyJVKICEFIYBEUKB-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide

3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide (PubChem CID 107120689) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
PubChem CID107120689
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc(F)cc(N)c1F)C(C)C
InChIInChI=1S/C14H20F2N2O/c1-8(2)7-18(9(3)4)14(19)11-5-10(15)6-12(17)13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyJVKICEFIYBEUKB-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
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-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81240604
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 107120734

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide (CID 107120689) is 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide is CC(C)CN(C(=O)c1cc(F)cc(N)c1F)C(C)C.
What is the InChIKey of 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The InChIKey is JVKICEFIYBEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-8(2)7-18(9(3)4)14(19)11-5-10(15)6-12(17)13(11)16/h5-6,8-9H,7,17H2,1-4H3.
What are the key properties of 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 107120689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).