2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide

C11H14Cl2N2O — CID 61219594

IUPAC2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)15-6-7-4-3-5-8(12)9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyZVJNQIGWMAIMEU-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide

2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide (PubChem CID 61219594) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
PubChem CID61219594
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)15-6-7-4-3-5-8(12)9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyZVJNQIGWMAIMEU-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62523478
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
CID 148837488
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 107093336
1-(2,3-dichlorophenyl)-3-methylbut-3-en-2-one
CID 107308061
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide (CID 61219594) is 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide is CC(C)(NCc1cccc(Cl)c1Cl)C(N)=O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide?
The InChIKey is ZVJNQIGWMAIMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)15-6-7-4-3-5-8(12)9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide?
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide has a molecular weight of 261.15 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 61219594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).