4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C19H20F2N2O3 — CID 26656595

IUPAC4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O3/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)26-19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24)
InChIKeyHDDKZGQAWPOXHM-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.62
Rot. Bonds6

About 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 26656595) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID26656595
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O3/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)26-19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24)
InChIKeyHDDKZGQAWPOXHM-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 7985319
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 26656595) is 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC(F)F)cc2)c1C.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is HDDKZGQAWPOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)26-19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24).
What are the key properties of 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 362.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 26656595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).