5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide

C13H18F2N2O — CID 62964464

IUPAC5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
SMILESCC(C)(C)CCNc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,3)4-5-17-11-6-8(12(16)18)9(14)7-10(11)15/h6-7,17H,4-5H2,1-3H3,(H2,16,18)
InChIKeyQRMIYFJIQQNEDZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.91
Rot. Bonds4

About 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide

5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide (PubChem CID 62964464) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
PubChem CID62964464
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
SMILESCC(C)(C)CCNc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,3)4-5-17-11-6-8(12(16)18)9(14)7-10(11)15/h6-7,17H,4-5H2,1-3H3,(H2,16,18)
InChIKeyQRMIYFJIQQNEDZ-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62472762
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
CID 43673683
4-bromo-N-(3,3-dimethylbutyl)-2,5-difluoroaniline
CID 107609345
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide?
The IUPAC name of 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide (CID 62964464) is 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide.
What is the SMILES notation for 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide?
The canonical SMILES for 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide is CC(C)(C)CCNc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide?
The InChIKey is QRMIYFJIQQNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,3)4-5-17-11-6-8(12(16)18)9(14)7-10(11)15/h6-7,17H,4-5H2,1-3H3,(H2,16,18).
What are the key properties of 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide?
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide is sourced from PubChem (CID 62964464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).