5-amino-2,4-difluoro-N-heptan-2-ylbenzamide

C14H20F2N2O — CID 61094469

IUPAC5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-14(19)10-7-13(17)12(16)8-11(10)15/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyBXJZBWAYKZEKGI-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.25
Rot. Bonds6

About 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide

5-amino-2,4-difluoro-N-heptan-2-ylbenzamide (PubChem CID 61094469) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
PubChem CID61094469
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-14(19)10-7-13(17)12(16)8-11(10)15/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyBXJZBWAYKZEKGI-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
5-amino-4-fluoro-2-nitro-N-pentan-2-ylbenzamide
CID 62152144
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
4-(3-aminoprop-1-ynyl)-2-fluoro-N-heptan-2-ylbenzamide
CID 61466718
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide (CID 61094469) is 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide?
The InChIKey is BXJZBWAYKZEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-4-5-6-9(2)18-14(19)10-7-13(17)12(16)8-11(10)15/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide?
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-heptan-2-ylbenzamide is sourced from PubChem (CID 61094469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).