3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide

C11H15Cl2N3O — CID 106095679

IUPAC3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-11(2,5-9(15)17)16-10-7(12)3-6(14)4-8(10)13/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyDQOMSKOYCRMJKF-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide

3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide (PubChem CID 106095679) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
PubChem CID106095679
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-11(2,5-9(15)17)16-10-7(12)3-6(14)4-8(10)13/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyDQOMSKOYCRMJKF-UHFFFAOYSA-N
XLogP2.64
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
CID 106890819
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
3-(4,6-diamino-3-chloro-2-fluoroanilino)-3-methylbutanamide
CID 106095656
3-[4-amino-2-(difluoromethyl)anilino]-3-methylbutanamide
CID 106095545
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide?
The IUPAC name of 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide (CID 106095679) is 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide.
What is the SMILES notation for 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide?
The canonical SMILES for 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide is CC(C)(CC(N)=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide?
The InChIKey is DQOMSKOYCRMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-11(2,5-9(15)17)16-10-7(12)3-6(14)4-8(10)13/h3-4,16H,5,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide?
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide has a molecular weight of 276.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide is sourced from PubChem (CID 106095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).