2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C19H21ClN2O3 — CID 113171144

IUPAC2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-14(23)22(17-9-5-4-8-16(17)20)13-19(24)21-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyTVUQIZRETVYZMG-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.06
Rot. Bonds7

About 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 113171144) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID113171144
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-14(23)22(17-9-5-4-8-16(17)20)13-19(24)21-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyTVUQIZRETVYZMG-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113179717
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-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178431
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 113171144) is 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(C(C)=O)c1ccccc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is TVUQIZRETVYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14(23)22(17-9-5-4-8-16(17)20)13-19(24)21-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.06, 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-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113171144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).