N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide

C24H22F2N2O2 — CID 55509696

IUPACN-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22F2N2O2/c1-16(20-12-13-21(25)22(26)14-20)28(2)23(29)15-27-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyIEBKIQXLVJHJJL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55509696) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55509696
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC NameN-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22F2N2O2/c1-16(20-12-13-21(25)22(26)14-20)28(2)23(29)15-27-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyIEBKIQXLVJHJJL-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 31159071
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 31160526
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78839592
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31163413
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
CID 55832375
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide (CID 55509696) is N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is IEBKIQXLVJHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-16(20-12-13-21(25)22(26)14-20)28(2)23(29)15-27-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 408.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55509696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).