N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride

C14H21Cl2FN2O2 — CID 119664901

IUPACN-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H20ClFN2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(16)7-12(13)15;/h5-7,11H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyCSUBJSZTKNACNI-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.91
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride (PubChem CID 119664901) has the molecular formula C14H21Cl2FN2O2 and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
PubChem CID119664901
Molecular FormulaC14H21Cl2FN2O2
Molecular Weight339.24 g/mol
Exact Mass338.10
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H20ClFN2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(16)7-12(13)15;/h5-7,11H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyCSUBJSZTKNACNI-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride (CID 119664901) is N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride is CCCCC(CN)NC(=O)COc1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride?
The InChIKey is CSUBJSZTKNACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(16)7-12(13)15;/h5-7,11H,2-4,8-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride has a molecular weight of 339.24 g/mol, XLogP of 2.91, 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-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119664901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).