N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride

C20H24ClFN2O2 — CID 119665027

IUPACN-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-2-3-6-16(13-22)23-20(25)18-8-5-4-7-17(18)19(24)14-9-11-15(21)12-10-14;/h4-5,7-12,16H,2-3,6,13,22H2,1H3,(H,23,25);1H
InChIKeyOKVAXWMVHVVHPL-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.73
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride (PubChem CID 119665027) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
PubChem CID119665027
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-2-3-6-16(13-22)23-20(25)18-8-5-4-7-17(18)19(24)14-9-11-15(21)12-10-14;/h4-5,7-12,16H,2-3,6,13,22H2,1H3,(H,23,25);1H
InChIKeyOKVAXWMVHVVHPL-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
CID 119665057
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119666621
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride (CID 119665027) is N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride?
The InChIKey is OKVAXWMVHVVHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-2-3-6-16(13-22)23-20(25)18-8-5-4-7-17(18)19(24)14-9-11-15(21)12-10-14;/h4-5,7-12,16H,2-3,6,13,22H2,1H3,(H,23,25);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride is sourced from PubChem (CID 119665027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).