N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide

C22H17F3N2O2 — CID 24743795

IUPACN-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
InChIKeyJQODSYNHBPRORC-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 24743795) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID24743795
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
InChIKeyJQODSYNHBPRORC-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
CID 137553162
CID 137553162
CID 164946740
CID 164946740
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
4-((3R)-3-((2-(4-fluorophenyl)-2-oxoethyl)amino)butyl)benzamide
CID 15991577
(2R)-4-(2-Benzoyl-1,2-diazepan-1-YL)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 16739331
4'-((1R)-1-amino-2-(2,5-difluorophenyl)ethyl)biphenyl-3-carboxamide
CID 24832041
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782
4-fluoro-N-(2-oxo-2-phenylethyl)benzamide
CID 796031

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 24743795) is N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is JQODSYNHBPRORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 398.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 24743795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).