7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride

C18H28ClFN2O2 — CID 119816174

IUPAC7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H27FN2O2.ClH/c19-16-7-5-6-15(14-16)18(9-12-23-13-10-18)21-17(22)8-3-1-2-4-11-20;/h5-7,14H,1-4,8-13,20H2,(H,21,22);1H
InChIKeyZHGWXSQPDSUOLD-UHFFFAOYSA-N
MW358.89 g/mol
LogP3.28
Rot. Bonds8

About 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride

7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride (PubChem CID 119816174) has the molecular formula C18H28ClFN2O2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
PubChem CID119816174
Molecular FormulaC18H28ClFN2O2
Molecular Weight358.89 g/mol
Exact Mass358.18
IUPAC Name7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H27FN2O2.ClH/c19-16-7-5-6-15(14-16)18(9-12-23-13-10-18)21-17(22)8-3-1-2-4-11-20;/h5-7,14H,1-4,8-13,20H2,(H,21,22);1H
InChIKeyZHGWXSQPDSUOLD-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 53.28
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

4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
CID 119815402
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
CID 130330486
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride (CID 119816174) is 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride?
The InChIKey is ZHGWXSQPDSUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2.ClH/c19-16-7-5-6-15(14-16)18(9-12-23-13-10-18)21-17(22)8-3-1-2-4-11-20;/h5-7,14H,1-4,8-13,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride?
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride has a molecular weight of 358.89 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119816174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).