N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide

C18H19ClN2O4 — CID 35678379

IUPACN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cc(OC)c(NC(=O)CN(C)C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-21(18(23)12-7-5-4-6-8-12)11-17(22)20-14-9-13(19)15(24-2)10-16(14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyIIKMXQIXCXBPPH-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide

N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 35678379) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID35678379
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cc(OC)c(NC(=O)CN(C)C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-21(18(23)12-7-5-4-6-8-12)11-17(22)20-14-9-13(19)15(24-2)10-16(14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyIIKMXQIXCXBPPH-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 35678379) is N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide is COc1cc(OC)c(NC(=O)CN(C)C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is IIKMXQIXCXBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-21(18(23)12-7-5-4-6-8-12)11-17(22)20-14-9-13(19)15(24-2)10-16(14)25-3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 35678379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).