N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide

C16H12F4N2O2 — CID 42765964

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1
InChIInChI=1S/C16H12F4N2O2/c17-12-4-6-13(7-5-12)22-14(23)9-21-15(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyNFDMPBUDMXAMOS-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 42765964) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID42765964
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1
InChIInChI=1S/C16H12F4N2O2/c17-12-4-6-13(7-5-12)22-14(23)9-21-15(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyNFDMPBUDMXAMOS-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
CID 9118852
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91393192

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 42765964) is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NFDMPBUDMXAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-12-4-6-13(7-5-12)22-14(23)9-21-15(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 340.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42765964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).