7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride

C17H26ClFN2O2 — CID 119811101

IUPAC7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C17H25FN2O2.ClH/c18-15-12-13(9-10-16(15)22-14-6-5-7-14)20-17(21)8-3-1-2-4-11-19;/h9-10,12,14H,1-8,11,19H2,(H,20,21);1H
InChIKeyKCTDINHSPXRPMK-UHFFFAOYSA-N
MW344.86 g/mol
LogP4.03
Rot. Bonds9

About 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride

7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride (PubChem CID 119811101) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
PubChem CID119811101
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C17H25FN2O2.ClH/c18-15-12-13(9-10-16(15)22-14-6-5-7-14)20-17(21)8-3-1-2-4-11-19;/h9-10,12,14H,1-8,11,19H2,(H,20,21);1H
InChIKeyKCTDINHSPXRPMK-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride (CID 119811101) is 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride?
The InChIKey is KCTDINHSPXRPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c18-15-12-13(9-10-16(15)22-14-6-5-7-14)20-17(21)8-3-1-2-4-11-19;/h9-10,12,14H,1-8,11,19H2,(H,20,21);1H.
What are the key properties of 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride?
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).