5-(5-aminohexanoylamino)-2,4-difluorobenzamide

C13H17F2N3O2 — CID 82848894

IUPAC5-(5-aminohexanoylamino)-2,4-difluorobenzamide
SMILESCC(N)CCCC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-7(16)3-2-4-12(19)18-11-5-8(13(17)20)9(14)6-10(11)15/h5-7H,2-4,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDORAUMLRAIHPLY-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.52
Rot. Bonds6

About 5-(5-aminohexanoylamino)-2,4-difluorobenzamide

5-(5-aminohexanoylamino)-2,4-difluorobenzamide (PubChem CID 82848894) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-(5-aminohexanoylamino)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-(5-aminohexanoylamino)-2,4-difluorobenzamide
PubChem CID82848894
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name5-(5-aminohexanoylamino)-2,4-difluorobenzamide
SMILESCC(N)CCCC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-7(16)3-2-4-12(19)18-11-5-8(13(17)20)9(14)6-10(11)15/h5-7H,2-4,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDORAUMLRAIHPLY-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminohexanoylamino)-2,4-difluorobenzamide?
The IUPAC name of 5-(5-aminohexanoylamino)-2,4-difluorobenzamide (CID 82848894) is 5-(5-aminohexanoylamino)-2,4-difluorobenzamide.
What is the SMILES notation for 5-(5-aminohexanoylamino)-2,4-difluorobenzamide?
The canonical SMILES for 5-(5-aminohexanoylamino)-2,4-difluorobenzamide is CC(N)CCCC(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-(5-aminohexanoylamino)-2,4-difluorobenzamide?
The InChIKey is DORAUMLRAIHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-7(16)3-2-4-12(19)18-11-5-8(13(17)20)9(14)6-10(11)15/h5-7H,2-4,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 5-(5-aminohexanoylamino)-2,4-difluorobenzamide?
5-(5-aminohexanoylamino)-2,4-difluorobenzamide has a molecular weight of 285.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminohexanoylamino)-2,4-difluorobenzamide is sourced from PubChem (CID 82848894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).