2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

C12H18ClFN2O2 — CID 120983321

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1ccccc1F.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-15(12(16)11(14)8-17-2)7-9-5-3-4-6-10(9)13;/h3-6,11H,7-8,14H2,1-2H3;1H
InChIKeyLIRKPAKSBOMARX-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (PubChem CID 120983321) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
PubChem CID120983321
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1ccccc1F.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-15(12(16)11(14)8-17-2)7-9-5-3-4-6-10(9)13;/h3-6,11H,7-8,14H2,1-2H3;1H
InChIKeyLIRKPAKSBOMARX-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43649648
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
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CID 4803955
2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
CID 103224583
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
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2-[2-[(2-amino-3-methoxypropanoyl)-methylamino]ethyl]benzoic acid
CID 104548382
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (CID 120983321) is 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is COCC(N)C(=O)N(C)Cc1ccccc1F.Cl.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The InChIKey is LIRKPAKSBOMARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-15(12(16)11(14)8-17-2)7-9-5-3-4-6-10(9)13;/h3-6,11H,7-8,14H2,1-2H3;1H.
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120983321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).