N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide

C17H16BrFN2O2 — CID 31215861

IUPACN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-21(11-13-4-2-3-5-15(13)18)16(22)10-20-17(23)12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPJMIEUZVRFTRHG-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 31215861) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID31215861
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-21(11-13-4-2-3-5-15(13)18)16(22)10-20-17(23)12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPJMIEUZVRFTRHG-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
CID 112768433
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 31215613
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18113370
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 31215861) is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide is CN(Cc1ccccc1Br)C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is PJMIEUZVRFTRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-21(11-13-4-2-3-5-15(13)18)16(22)10-20-17(23)12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 379.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 31215861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).