3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H20F2N2O3 — CID 26072093

IUPAC3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)c(C)c1
InChIInChI=1S/C19H20F2N2O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-22-18(25)14-5-4-6-15(9-14)26-19(20)21/h4-9,19H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKBSGIMJJAMTQGT-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.58
Rot. Bonds6

About 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 26072093) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID26072093
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)c(C)c1
InChIInChI=1S/C19H20F2N2O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-22-18(25)14-5-4-6-15(9-14)26-19(20)21/h4-9,19H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKBSGIMJJAMTQGT-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
3-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783081
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26312991
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 30794603
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 26072093) is 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)c(C)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is KBSGIMJJAMTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-22-18(25)14-5-4-6-15(9-14)26-19(20)21/h4-9,19H,10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 362.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 26072093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).