2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide

C17H18ClN3O3 — CID 26543562

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H18ClN3O3/c1-19-17(23)12-5-3-4-6-13(12)20-10-16(22)21-14-9-11(18)7-8-15(14)24-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyWSGHFJXZMGYVTI-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.76
Rot. Bonds6

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 26543562) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID26543562
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H18ClN3O3/c1-19-17(23)12-5-3-4-6-13(12)20-10-16(22)21-14-9-11(18)7-8-15(14)24-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyWSGHFJXZMGYVTI-UHFFFAOYSA-N
XLogP2.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide
CID 87029357
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 26543562) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is WSGHFJXZMGYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-19-17(23)12-5-3-4-6-13(12)20-10-16(22)21-14-9-11(18)7-8-15(14)24-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 347.80 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 26543562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).