2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide

C15H19ClN2O4 — CID 113180210

IUPAC2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-5-6-17-15(20)9-18(10(2)19)12-8-13(21-3)11(16)7-14(12)22-4/h5,7-8H,1,6,9H2,2-4H3,(H,17,20)
InChIKeyGAJZSPXGMGYMGP-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.01
Rot. Bonds7

About 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide

2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide (PubChem CID 113180210) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
PubChem CID113180210
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-5-6-17-15(20)9-18(10(2)19)12-8-13(21-3)11(16)7-14(12)22-4/h5,7-8H,1,6,9H2,2-4H3,(H,17,20)
InChIKeyGAJZSPXGMGYMGP-UHFFFAOYSA-N
XLogP2.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113180281
2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
CID 113180076
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
CID 113169920
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)acetamide
CID 113180390
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113134403

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide (CID 113180210) is 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide?
The InChIKey is GAJZSPXGMGYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-5-6-17-15(20)9-18(10(2)19)12-8-13(21-3)11(16)7-14(12)22-4/h5,7-8H,1,6,9H2,2-4H3,(H,17,20).
What are the key properties of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide has a molecular weight of 326.78 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113180210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).