N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide

C18H17BrF2N2O3 — CID 112768433

IUPACN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O3/c1-23(11-12-6-2-4-8-14(12)19)16(24)10-22-17(25)13-7-3-5-9-15(13)26-18(20)21/h2-9,18H,10-11H2,1H3,(H,22,25)
InChIKeyLGZBCAVFOZPQQH-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide (PubChem CID 112768433) has the molecular formula C18H17BrF2N2O3 and a molecular weight of 427.25 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
PubChem CID112768433
Molecular FormulaC18H17BrF2N2O3
Molecular Weight427.25 g/mol
Exact Mass426.04
IUPAC NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O3/c1-23(11-12-6-2-4-8-14(12)19)16(24)10-22-17(25)13-7-3-5-9-15(13)26-18(20)21/h2-9,18H,10-11H2,1H3,(H,22,25)
InChIKeyLGZBCAVFOZPQQH-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 122111558
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
1-[(2-bromophenyl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-methylurea
CID 56586797
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide (CID 112768433) is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide is CN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The InChIKey is LGZBCAVFOZPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3/c1-23(11-12-6-2-4-8-14(12)19)16(24)10-22-17(25)13-7-3-5-9-15(13)26-18(20)21/h2-9,18H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide has a molecular weight of 427.25 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 112768433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).