5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide

C15H22F2N2O — CID 61094085

IUPAC5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-9(2)7-19(8-10(3)4)15(20)11-5-14(18)13(17)6-12(11)16/h5-6,9-10H,7-8,18H2,1-4H3
InChIKeyDJJVIKUMYNJWAC-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.30
Rot. Bonds5

About 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide

5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 61094085) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
PubChem CID61094085
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-9(2)7-19(8-10(3)4)15(20)11-5-14(18)13(17)6-12(11)16/h5-6,9-10H,7-8,18H2,1-4H3
InChIKeyDJJVIKUMYNJWAC-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.30
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

5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide (CID 61094085) is 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is DJJVIKUMYNJWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-9(2)7-19(8-10(3)4)15(20)11-5-14(18)13(17)6-12(11)16/h5-6,9-10H,7-8,18H2,1-4H3.
What are the key properties of 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide?
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 284.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 61094085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).