N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride

C16H26ClFN2O2 — CID 119668887

IUPACN-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(CC)Oc1ccccc1F.Cl
InChIInChI=1S/C16H25FN2O2.ClH/c1-3-5-8-12(11-18)19-16(20)14(4-2)21-15-10-7-6-9-13(15)17;/h6-7,9-10,12,14H,3-5,8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyDVCJEEXQVBHYJD-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.04
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride (PubChem CID 119668887) has the molecular formula C16H26ClFN2O2 and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
PubChem CID119668887
Molecular FormulaC16H26ClFN2O2
Molecular Weight332.85 g/mol
Exact Mass332.17
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(CC)Oc1ccccc1F.Cl
InChIInChI=1S/C16H25FN2O2.ClH/c1-3-5-8-12(11-18)19-16(20)14(4-2)21-15-10-7-6-9-13(15)17;/h6-7,9-10,12,14H,3-5,8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyDVCJEEXQVBHYJD-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119667198
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
N-(2-amino-2-ethylbutyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119644039
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970
3-(2-fluorophenoxy)nonanoic acid
CID 141243279

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride (CID 119668887) is N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride is CCCCC(CN)NC(=O)C(CC)Oc1ccccc1F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is DVCJEEXQVBHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2.ClH/c1-3-5-8-12(11-18)19-16(20)14(4-2)21-15-10-7-6-9-13(15)17;/h6-7,9-10,12,14H,3-5,8,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 3.04, 9 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-(2-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).