3-(2-chloro-4,6-dimethylanilino)propanamide

C11H15ClN2O — CID 82081050

IUPAC3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-5-8(2)11(9(12)6-7)14-4-3-10(13)15/h5-6,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyZSILGEGGZKLFHI-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.24
Rot. Bonds4

About 3-(2-chloro-4,6-dimethylanilino)propanamide

3-(2-chloro-4,6-dimethylanilino)propanamide (PubChem CID 82081050) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)propanamide
PubChem CID82081050
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-5-8(2)11(9(12)6-7)14-4-3-10(13)15/h5-6,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyZSILGEGGZKLFHI-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)propanamide (CID 82081050) is 3-(2-chloro-4,6-dimethylanilino)propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)propanamide is Cc1cc(C)c(NCCC(N)=O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)propanamide?
The InChIKey is ZSILGEGGZKLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-5-8(2)11(9(12)6-7)14-4-3-10(13)15/h5-6,14H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)propanamide?
3-(2-chloro-4,6-dimethylanilino)propanamide has a molecular weight of 226.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)propanamide is sourced from PubChem (CID 82081050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).