2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

C12H17Cl3N2O2 — CID 120983504

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-16(12(17)11(15)7-18-2)6-8-3-4-9(13)10(14)5-8;/h3-5,11H,6-7,15H2,1-2H3;1H
InChIKeyHYMYSEDYCUJOOM-UHFFFAOYSA-N
MW327.64 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (PubChem CID 120983504) has the molecular formula C12H17Cl3N2O2 and a molecular weight of 327.64 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
PubChem CID120983504
Molecular FormulaC12H17Cl3N2O2
Molecular Weight327.64 g/mol
Exact Mass326.04
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-16(12(17)11(15)7-18-2)6-8-3-4-9(13)10(14)5-8;/h3-5,11H,6-7,15H2,1-2H3;1H
InChIKeyHYMYSEDYCUJOOM-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (CID 120983504) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is COCC(N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The InChIKey is HYMYSEDYCUJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2.ClH/c1-16(12(17)11(15)7-18-2)6-8-3-4-9(13)10(14)5-8;/h3-5,11H,6-7,15H2,1-2H3;1H.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride has a molecular weight of 327.64 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120983504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).