4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide

C17H17ClN2O4 — CID 27253344

IUPAC4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-13-7-8-14(15(9-13)24-2)20-16(21)10-19-17(22)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIPYXLNXURKSEMV-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.73
Rot. Bonds6

About 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide

4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide (PubChem CID 27253344) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
PubChem CID27253344
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-13-7-8-14(15(9-13)24-2)20-16(21)10-19-17(22)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIPYXLNXURKSEMV-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide (CID 27253344) is 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is IPYXLNXURKSEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-13-7-8-14(15(9-13)24-2)20-16(21)10-19-17(22)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 27253344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).