7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide

C19H19ClN2O4 — CID 9427980

IUPAC7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)c1
InChIInChI=1S/C19H19ClN2O4/c1-11-4-5-12(2)15(6-11)21-17(23)9-22(3)19(24)13-7-14(20)18-16(8-13)25-10-26-18/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyBTKHCYZISGGPOY-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.40
Rot. Bonds4

About 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide

7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 9427980) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID9427980
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)c1
InChIInChI=1S/C19H19ClN2O4/c1-11-4-5-12(2)15(6-11)21-17(23)9-22(3)19(24)13-7-14(20)18-16(8-13)25-10-26-18/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyBTKHCYZISGGPOY-UHFFFAOYSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9319042
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
7-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 31975764
6-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9186397
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
[4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8637864
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
7-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 43063185
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CID 9427980) is 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)c1.
What is the InChIKey of 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is BTKHCYZISGGPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11-4-5-12(2)15(6-11)21-17(23)9-22(3)19(24)13-7-14(20)18-16(8-13)25-10-26-18/h4-8H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.82 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 9427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).