N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide

C19H18Cl2F2N2O4 — CID 46490871

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C19H18Cl2F2N2O4/c1-3-25(10-16(26)24-17-12(20)5-4-6-13(17)21)18(27)11-7-8-14(28-2)15(9-11)29-19(22)23/h4-9,19H,3,10H2,1-2H3,(H,24,26)
InChIKeyCGWFFPDLKYAVBE-UHFFFAOYSA-N
MW447.27 g/mol
LogP4.70
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide (PubChem CID 46490871) has the molecular formula C19H18Cl2F2N2O4 and a molecular weight of 447.27 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
PubChem CID46490871
Molecular FormulaC19H18Cl2F2N2O4
Molecular Weight447.27 g/mol
Exact Mass446.06
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C19H18Cl2F2N2O4/c1-3-25(10-16(26)24-17-12(20)5-4-6-13(17)21)18(27)11-7-8-14(28-2)15(9-11)29-19(22)23/h4-9,19H,3,10H2,1-2H3,(H,24,26)
InChIKeyCGWFFPDLKYAVBE-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-ethylprop-2-enamide
CID 34169888
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55453293
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 25314869
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide (CID 46490871) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide?
The InChIKey is CGWFFPDLKYAVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O4/c1-3-25(10-16(26)24-17-12(20)5-4-6-13(17)21)18(27)11-7-8-14(28-2)15(9-11)29-19(22)23/h4-9,19H,3,10H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide has a molecular weight of 447.27 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 46490871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).