7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride

C14H22ClFN2O — CID 119679598

IUPAC7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
SMILESCc1cc(F)ccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-11-10-12(15)7-8-13(11)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H
InChIKeyLFCFEEWKWVZEKA-UHFFFAOYSA-N
MW288.79 g/mol
LogP3.40
Rot. Bonds7

About 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride

7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride (PubChem CID 119679598) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
PubChem CID119679598
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
SMILESCc1cc(F)ccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-11-10-12(15)7-8-13(11)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H
InChIKeyLFCFEEWKWVZEKA-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
CID 119785431
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride (CID 119679598) is 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride is Cc1cc(F)ccc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride?
The InChIKey is LFCFEEWKWVZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-11-10-12(15)7-8-13(11)17-14(18)6-4-2-3-5-9-16;/h7-8,10H,2-6,9,16H2,1H3,(H,17,18);1H.
What are the key properties of 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride?
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119679598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).