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

C11H15ClN2O3 — CID 43132016

IUPAC3-(4-chloro-2,5-dimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(N)=O)c(OC)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-9-6-8(14-4-3-11(13)15)10(17-2)5-7(9)12/h5-6,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyGSLSJOYQLJAVNF-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.64
Rot. Bonds6

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

3-(4-chloro-2,5-dimethoxyanilino)propanamide (PubChem CID 43132016) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyanilino)propanamide
PubChem CID43132016
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-(4-chloro-2,5-dimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(N)=O)c(OC)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-9-6-8(14-4-3-11(13)15)10(17-2)5-7(9)12/h5-6,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyGSLSJOYQLJAVNF-UHFFFAOYSA-N
XLogP1.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
3-(5-chloro-2,4-dimethoxyanilino)-N'-hydroxypropanimidamide
CID 77025331
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033
3-(4-chloro-2,5-dimethoxyanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014463
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)propanamide?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)propanamide (CID 43132016) is 3-(4-chloro-2,5-dimethoxyanilino)propanamide.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyanilino)propanamide?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyanilino)propanamide is COc1cc(NCCC(N)=O)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyanilino)propanamide?
The InChIKey is GSLSJOYQLJAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-16-9-6-8(14-4-3-11(13)15)10(17-2)5-7(9)12/h5-6,14H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 3-(4-chloro-2,5-dimethoxyanilino)propanamide?
3-(4-chloro-2,5-dimethoxyanilino)propanamide has a molecular weight of 258.70 g/mol, XLogP of 1.64, 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)propanamide is sourced from PubChem (CID 43132016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).