N-(2-amino-4,6-difluorophenyl)heptanamide

C13H18F2N2O — CID 114752030

IUPACN-(2-amino-4,6-difluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-5-6-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyXZCXBFCVWGONFI-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.46
Rot. Bonds6

About N-(2-amino-4,6-difluorophenyl)heptanamide

N-(2-amino-4,6-difluorophenyl)heptanamide (PubChem CID 114752030) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)heptanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)heptanamide
PubChem CID114752030
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(2-amino-4,6-difluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-5-6-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyXZCXBFCVWGONFI-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)heptanamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)heptanamide (CID 114752030) is N-(2-amino-4,6-difluorophenyl)heptanamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)heptanamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)heptanamide is CCCCCCC(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)heptanamide?
The InChIKey is XZCXBFCVWGONFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-3-4-5-6-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4,6-difluorophenyl)heptanamide?
N-(2-amino-4,6-difluorophenyl)heptanamide has a molecular weight of 256.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)heptanamide is sourced from PubChem (CID 114752030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).