6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide

C7H9FN2O — CID 174288587

IUPAC6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide
SMILESNC(=O)C1=C(F)C=CCCN1
InChIInChI=1S/C7H9FN2O/c8-5-3-1-2-4-10-6(5)7(9)11/h1,3,10H,2,4H2,(H2,9,11)
InChIKeyYAMSNKUEQZPMPN-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.20
Rot. Bonds1

About 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide

6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide (PubChem CID 174288587) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide
PubChem CID174288587
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide
SMILESNC(=O)C1=C(F)C=CCCN1
InChIInChI=1S/C7H9FN2O/c8-5-3-1-2-4-10-6(5)7(9)11/h1,3,10H,2,4H2,(H2,9,11)
InChIKeyYAMSNKUEQZPMPN-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide?
The IUPAC name of 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide (CID 174288587) is 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide?
The canonical SMILES for 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide is NC(=O)C1=C(F)C=CCCN1.
What is the InChIKey of 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide?
The InChIKey is YAMSNKUEQZPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-5-3-1-2-4-10-6(5)7(9)11/h1,3,10H,2,4H2,(H2,9,11).
What are the key properties of 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide?
6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide has a molecular weight of 156.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1H-azepine-7-carboxamide is sourced from PubChem (CID 174288587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).