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

C22H18F2N2O2 — CID 55916551

IUPAC2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14(25-22(28)19-4-2-3-5-20(19)24)15-8-12-18(13-9-15)26-21(27)16-6-10-17(23)11-7-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyDTJCRPZZHQTFNT-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.71
Rot. Bonds5

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

2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide (PubChem CID 55916551) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
PubChem CID55916551
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14(25-22(28)19-4-2-3-5-20(19)24)15-8-12-18(13-9-15)26-21(27)16-6-10-17(23)11-7-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyDTJCRPZZHQTFNT-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
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
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
CID 154796734
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide (CID 55916551) is 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide is CC(NC(=O)c1ccccc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
The InChIKey is DTJCRPZZHQTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14(25-22(28)19-4-2-3-5-20(19)24)15-8-12-18(13-9-15)26-21(27)16-6-10-17(23)11-7-16/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide?
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide has a molecular weight of 380.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide is sourced from PubChem (CID 55916551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).