2,4-difluoro-5-(heptan-2-ylamino)benzamide

C14H20F2N2O — CID 43673685

IUPAC2,4-difluoro-5-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-13-7-10(14(17)19)11(15)8-12(13)16/h7-9,18H,3-6H2,1-2H3,(H2,17,19)
InChIKeyIXWUERSNMYGAHI-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.44
Rot. Bonds7

About 2,4-difluoro-5-(heptan-2-ylamino)benzamide

2,4-difluoro-5-(heptan-2-ylamino)benzamide (PubChem CID 43673685) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2,4-difluoro-5-(heptan-2-ylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(heptan-2-ylamino)benzamide
PubChem CID43673685
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2,4-difluoro-5-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-13-7-10(14(17)19)11(15)8-12(13)16/h7-9,18H,3-6H2,1-2H3,(H2,17,19)
InChIKeyIXWUERSNMYGAHI-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
methyl 2,4-difluoro-5-(pentan-2-ylamino)benzoate
CID 43731449
2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
CID 43673683
2,6-difluoro-3-(nonan-2-ylamino)benzamide
CID 155520957
methyl 2-(5-carbamoyl-2,4-difluoroanilino)butanoate
CID 115352435
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
2-fluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 115368067
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(heptan-2-ylamino)benzamide?
The IUPAC name of 2,4-difluoro-5-(heptan-2-ylamino)benzamide (CID 43673685) is 2,4-difluoro-5-(heptan-2-ylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(heptan-2-ylamino)benzamide?
The canonical SMILES for 2,4-difluoro-5-(heptan-2-ylamino)benzamide is CCCCCC(C)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(heptan-2-ylamino)benzamide?
The InChIKey is IXWUERSNMYGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-13-7-10(14(17)19)11(15)8-12(13)16/h7-9,18H,3-6H2,1-2H3,(H2,17,19).
What are the key properties of 2,4-difluoro-5-(heptan-2-ylamino)benzamide?
2,4-difluoro-5-(heptan-2-ylamino)benzamide has a molecular weight of 270.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(heptan-2-ylamino)benzamide is sourced from PubChem (CID 43673685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).