N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride

C14H21Cl3N2O2 — CID 119664799

IUPACN-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(15)7-12(13)16;/h5-7,11H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyZRMFZWPFKVECOD-UHFFFAOYSA-N
MW355.69 g/mol
LogP3.43
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride (PubChem CID 119664799) has the molecular formula C14H21Cl3N2O2 and a molecular weight of 355.69 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
PubChem CID119664799
Molecular FormulaC14H21Cl3N2O2
Molecular Weight355.69 g/mol
Exact Mass354.07
IUPAC NameN-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(15)7-12(13)16;/h5-7,11H,2-4,8-9,17H2,1H3,(H,18,19);1H
InChIKeyZRMFZWPFKVECOD-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119664901
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
CID 86308559
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride (CID 119664799) is N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride is CCCCC(CN)NC(=O)COc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride?
The InChIKey is ZRMFZWPFKVECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2.ClH/c1-2-3-4-11(8-17)18-14(19)9-20-13-6-5-10(15)7-12(13)16;/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-(2,4-dichlorophenoxy)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 3.43, 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-(2,4-dichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).