N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide

C12H16ClNO3 — CID 46568251

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(Cl)c(NC(=O)C(C)C)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-7(2)12(15)14-9-6-11(17-4)10(16-3)5-8(9)13/h5-7H,1-4H3,(H,14,15)
InChIKeyZBLXJZBJFCBYRK-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.95
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 46568251) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
PubChem CID46568251
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(Cl)c(NC(=O)C(C)C)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-7(2)12(15)14-9-6-11(17-4)10(16-3)5-8(9)13/h5-7H,1-4H3,(H,14,15)
InChIKeyZBLXJZBJFCBYRK-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 70092647
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
CID 65225390
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
CID 162343437
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836762
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79012377
5-chloro-2-methoxy-4-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517466

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide (CID 46568251) is N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide is COc1cc(Cl)c(NC(=O)C(C)C)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is ZBLXJZBJFCBYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-7(2)12(15)14-9-6-11(17-4)10(16-3)5-8(9)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 46568251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).