N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride

C18H30ClFN2O3 — CID 119658828

IUPACN-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1F.Cl
InChIInChI=1S/C18H29FN2O3.ClH/c1-13(2)17(20)7-8-21(3)18(22)14-5-6-16(19)15(11-14)12-24-10-9-23-4;/h5-6,11,13,17H,7-10,12,20H2,1-4H3;1H
InChIKeyADEJZDRWFUBGLH-UHFFFAOYSA-N
MW376.90 g/mol
LogP2.86
Rot. Bonds10

About N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride (PubChem CID 119658828) has the molecular formula C18H30ClFN2O3 and a molecular weight of 376.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
PubChem CID119658828
Molecular FormulaC18H30ClFN2O3
Molecular Weight376.90 g/mol
Exact Mass376.19
IUPAC NameN-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1F.Cl
InChIInChI=1S/C18H29FN2O3.ClH/c1-13(2)17(20)7-8-21(3)18(22)14-5-6-16(19)15(11-14)12-24-10-9-23-4;/h5-6,11,13,17H,7-10,12,20H2,1-4H3;1H
InChIKeyADEJZDRWFUBGLH-UHFFFAOYSA-N
XLogP2.86
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
5-[[[4-fluoro-3-(2-methoxyethoxymethyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222839
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride (CID 119658828) is N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride is COCCOCc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1F.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The InChIKey is ADEJZDRWFUBGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3.ClH/c1-13(2)17(20)7-8-21(3)18(22)14-5-6-16(19)15(11-14)12-24-10-9-23-4;/h5-6,11,13,17H,7-10,12,20H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride has a molecular weight of 376.90 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119658828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).