N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride

C15H24ClFN2O3 — CID 119582717

IUPACN-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)N(C)C(C)CN)ccc1F.Cl
InChIInChI=1S/C15H23FN2O3.ClH/c1-11(9-17)18(2)15(19)12-4-5-14(16)13(8-12)10-21-7-6-20-3;/h4-5,8,11H,6-7,9-10,17H2,1-3H3;1H
InChIKeyGOXDORHUFYLKLI-UHFFFAOYSA-N
MW334.82 g/mol
LogP1.83
Rot. Bonds8

About N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride (PubChem CID 119582717) has the molecular formula C15H24ClFN2O3 and a molecular weight of 334.82 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
PubChem CID119582717
Molecular FormulaC15H24ClFN2O3
Molecular Weight334.82 g/mol
Exact Mass334.15
IUPAC NameN-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
SMILESCOCCOCc1cc(C(=O)N(C)C(C)CN)ccc1F.Cl
InChIInChI=1S/C15H23FN2O3.ClH/c1-11(9-17)18(2)15(19)12-4-5-14(16)13(8-12)10-21-7-6-20-3;/h4-5,8,11H,6-7,9-10,17H2,1-3H3;1H
InChIKeyGOXDORHUFYLKLI-UHFFFAOYSA-N
XLogP1.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 51.83
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-(3-amino-4-methylpentyl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119658828
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119582617
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 119582598
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
CID 119582618
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride (CID 119582717) is N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride is COCCOCc1cc(C(=O)N(C)C(C)CN)ccc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
The InChIKey is GOXDORHUFYLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3.ClH/c1-11(9-17)18(2)15(19)12-4-5-14(16)13(8-12)10-21-7-6-20-3;/h4-5,8,11H,6-7,9-10,17H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119582717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).