2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide

C11H14Cl2N2O — CID 77144367

IUPAC2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6,14H2,1-2H3
InChIKeyQRZYPDXBSULDLS-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide

2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide (PubChem CID 77144367) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
PubChem CID77144367
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6,14H2,1-2H3
InChIKeyQRZYPDXBSULDLS-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
3-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119722332
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
(2S)-2-amino-N-[(2-iodophenyl)methyl]-N-methylpropanamide
CID 66568428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide (CID 77144367) is 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide is CC(N)C(=O)N(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is QRZYPDXBSULDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide?
2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 261.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 77144367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).