2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide

C12H16Cl2N2O — CID 65499751

IUPAC2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-9(13)5-4-6-10(11)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyWAPKSQBZGPAFNI-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide

2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide (PubChem CID 65499751) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
PubChem CID65499751
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-9(13)5-4-6-10(11)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyWAPKSQBZGPAFNI-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
(2S)-2-(2,6-dichloroanilino)-3-methylbutanoic acid
CID 54414123
2-(2-chloro-6-methylanilino)propanamide
CID 66252713
methyl 2-(2-amino-6-chloroanilino)propanoate
CID 61499348
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 113407809
2-bromo-N-(2,6-dichlorophenyl)propanamide
CID 53414281
(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 118608342
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
CID 22814498

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide (CID 65499751) is 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide?
The InChIKey is WAPKSQBZGPAFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-9(13)5-4-6-10(11)14/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide?
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 65499751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).