4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide

C17H18F2N2O2 — CID 25394977

IUPAC4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c1-21(14-5-3-2-4-6-14)12-11-20-16(22)13-7-9-15(10-8-13)23-17(18)19/h2-10,17H,11-12H2,1H3,(H,20,22)
InChIKeyIPMQVNDGRQNZDD-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.15
Rot. Bonds7

About 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide

4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 25394977) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID25394977
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c1-21(14-5-3-2-4-6-14)12-11-20-16(22)13-7-9-15(10-8-13)23-17(18)19/h2-10,17H,11-12H2,1H3,(H,20,22)
InChIKeyIPMQVNDGRQNZDD-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide
CID 143395438
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
4-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396160
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 36941546

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide (CID 25394977) is 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is IPMQVNDGRQNZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-21(14-5-3-2-4-6-14)12-11-20-16(22)13-7-9-15(10-8-13)23-17(18)19/h2-10,17H,11-12H2,1H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide?
4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 320.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 25394977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).