3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide

C12H17ClN2O3 — CID 43312033

IUPAC3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
SMILESCOc1cc(NCC(C)C(N)=O)c(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(12(14)16)6-15-9-5-10(17-2)8(13)4-11(9)18-3/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyXJQGSPKKLXAOSC-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.89
Rot. Bonds6

About 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide

3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide (PubChem CID 43312033) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
PubChem CID43312033
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
SMILESCOc1cc(NCC(C)C(N)=O)c(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(12(14)16)6-15-9-5-10(17-2)8(13)4-11(9)18-3/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyXJQGSPKKLXAOSC-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
CID 104723467
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide (CID 43312033) is 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide is COc1cc(NCC(C)C(N)=O)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide?
The InChIKey is XJQGSPKKLXAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(12(14)16)6-15-9-5-10(17-2)8(13)4-11(9)18-3/h4-5,7,15H,6H2,1-3H3,(H2,14,16).
What are the key properties of 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide?
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide has a molecular weight of 272.73 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide is sourced from PubChem (CID 43312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).