2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C19H20Cl2N2O3 — CID 113179717

IUPAC2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-13(24)23(17-11-15(20)7-8-16(17)21)12-19(25)22-10-9-14-5-3-4-6-18(14)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyJNPQKRWPWCVBKV-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.71
Rot. Bonds7

About 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 113179717) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID113179717
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-13(24)23(17-11-15(20)7-8-16(17)21)12-19(25)22-10-9-14-5-3-4-6-18(14)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyJNPQKRWPWCVBKV-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113171144
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178431
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 113179717) is 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(C(C)=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is JNPQKRWPWCVBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-13(24)23(17-11-15(20)7-8-16(17)21)12-19(25)22-10-9-14-5-3-4-6-18(14)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 395.29 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113179717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).