N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide

C17H13Cl2F3N2O2 — CID 40604160

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c1-24(9-15(25)23-12-6-7-13(18)14(19)8-12)16(26)10-2-4-11(5-3-10)17(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyOMIIEUUCBIBKHR-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.72
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 40604160) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID40604160
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c1-24(9-15(25)23-12-6-7-13(18)14(19)8-12)16(26)10-2-4-11(5-3-10)17(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyOMIIEUUCBIBKHR-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
CID 31183062
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9418656
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide (CID 40604160) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is OMIIEUUCBIBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c1-24(9-15(25)23-12-6-7-13(18)14(19)8-12)16(26)10-2-4-11(5-3-10)17(20,21)22/h2-8H,9H2,1H3,(H,23,25).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 405.20 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 40604160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).