2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide

C10H12Cl2N2O — CID 22946175

IUPAC2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14-10(15)9(13)5-6-7(11)3-2-4-8(6)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyCXZLLZMSMMWCID-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide

2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide (PubChem CID 22946175) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
PubChem CID22946175
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14-10(15)9(13)5-6-7(11)3-2-4-8(6)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyCXZLLZMSMMWCID-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
CID 117358774
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 78959323
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
methyl (2S)-2-amino-3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]propanoate
CID 22898731

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide (CID 22946175) is 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide is CNC(=O)C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide?
The InChIKey is CXZLLZMSMMWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-14-10(15)9(13)5-6-7(11)3-2-4-8(6)12/h2-4,9H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide?
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide has a molecular weight of 247.12 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 22946175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).