2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide

C22H17ClF2N2O2 — CID 55915530

IUPAC2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17ClF2N2O2/c1-13(26-22(29)19-11-8-17(25)12-20(19)23)14-4-9-18(10-5-14)27-21(28)15-2-6-16(24)7-3-15/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyZVIFHAXALCHDEG-UHFFFAOYSA-N
MW414.84 g/mol
LogP5.36
Rot. Bonds5

About 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide

2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide (PubChem CID 55915530) has the molecular formula C22H17ClF2N2O2 and a molecular weight of 414.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
PubChem CID55915530
Molecular FormulaC22H17ClF2N2O2
Molecular Weight414.84 g/mol
Exact Mass414.09
IUPAC Name2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17ClF2N2O2/c1-13(26-22(29)19-11-8-17(25)12-20(19)23)14-4-9-18(10-5-14)27-21(28)15-2-6-16(24)7-3-15/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyZVIFHAXALCHDEG-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.84
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55917067
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide (CID 55915530) is 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The InChIKey is ZVIFHAXALCHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O2/c1-13(26-22(29)19-11-8-17(25)12-20(19)23)14-4-9-18(10-5-14)27-21(28)15-2-6-16(24)7-3-15/h2-13H,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide has a molecular weight of 414.84 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide is sourced from PubChem (CID 55915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).