2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide

C19H22ClN3O3 — CID 9167171

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-3-26-17-10-8-16(9-11-17)22-19(25)13-23(2)12-18(24)21-15-6-4-14(20)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTXKCHWDFVJVFFT-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.25
Rot. Bonds8

About 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 9167171) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
PubChem CID9167171
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-3-26-17-10-8-16(9-11-17)22-19(25)13-23(2)12-18(24)21-15-6-4-14(20)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyTXKCHWDFVJVFFT-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9136541
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide (CID 9167171) is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is TXKCHWDFVJVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-26-17-10-8-16(9-11-17)22-19(25)13-23(2)12-18(24)21-15-6-4-14(20)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 9167171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).