2-amino-N-cycloheptyl-4-fluorobenzamide

C14H19FN2O — CID 55139018

IUPAC2-amino-N-cycloheptyl-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H19FN2O/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18)
InChIKeyXHNRNTDPLDSKED-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.86
Rot. Bonds2

About 2-amino-N-cycloheptyl-4-fluorobenzamide

2-amino-N-cycloheptyl-4-fluorobenzamide (PubChem CID 55139018) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-cycloheptyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-cycloheptyl-4-fluorobenzamide
PubChem CID55139018
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-cycloheptyl-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H19FN2O/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18)
InChIKeyXHNRNTDPLDSKED-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110102
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cycloheptyl-4-fluorobenzamide?
The IUPAC name of 2-amino-N-cycloheptyl-4-fluorobenzamide (CID 55139018) is 2-amino-N-cycloheptyl-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-cycloheptyl-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-cycloheptyl-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NC1CCCCCC1.
What is the InChIKey of 2-amino-N-cycloheptyl-4-fluorobenzamide?
The InChIKey is XHNRNTDPLDSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-10-7-8-12(13(16)9-10)14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18).
What are the key properties of 2-amino-N-cycloheptyl-4-fluorobenzamide?
2-amino-N-cycloheptyl-4-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cycloheptyl-4-fluorobenzamide is sourced from PubChem (CID 55139018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).