N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide

C17H15F3N2O2 — CID 41176986

IUPACN-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10(12-4-7-14(19)15(20)8-12)22-16(23)9-21-17(24)11-2-5-13(18)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m1/s1
InChIKeyWQBRLXUTOJANMT-SNVBAGLBSA-N
MW336.31 g/mol
LogP2.71
Rot. Bonds5

About N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 41176986) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID41176986
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10(12-4-7-14(19)15(20)8-12)22-16(23)9-21-17(24)11-2-5-13(18)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m1/s1
InChIKeyWQBRLXUTOJANMT-SNVBAGLBSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 40813476
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 41176986) is N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide is C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is WQBRLXUTOJANMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10(12-4-7-14(19)15(20)8-12)22-16(23)9-21-17(24)11-2-5-13(18)6-3-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)/t10-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 336.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 41176986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).