2-(4-ethynyl-2-fluoroanilino)benzamide

C15H11FN2O — CID 140561717

IUPAC2-(4-ethynyl-2-fluoroanilino)benzamide
SMILESC#Cc1ccc(Nc2ccccc2C(N)=O)c(F)c1
InChIInChI=1S/C15H11FN2O/c1-2-10-7-8-14(12(16)9-10)18-13-6-4-3-5-11(13)15(17)19/h1,3-9,18H,(H2,17,19)
InChIKeyRFNDTHKXGUBUGD-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-ethynyl-2-fluoroanilino)benzamide

2-(4-ethynyl-2-fluoroanilino)benzamide (PubChem CID 140561717) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(4-ethynyl-2-fluoroanilino)benzamide.

Molecular Properties

Compound Name2-(4-ethynyl-2-fluoroanilino)benzamide
PubChem CID140561717
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(4-ethynyl-2-fluoroanilino)benzamide
SMILESC#Cc1ccc(Nc2ccccc2C(N)=O)c(F)c1
InChIInChI=1S/C15H11FN2O/c1-2-10-7-8-14(12(16)9-10)18-13-6-4-3-5-11(13)15(17)19/h1,3-9,18H,(H2,17,19)
InChIKeyRFNDTHKXGUBUGD-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
4-ethynyl-2-fluoro-N-methylaniline
CID 55300171
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
(2S,3S)-2-amino-N-(4-ethynyl-2-fluorophenyl)-3-phenylbutanamide
CID 87653191
2-(3,4-dihydroxybutoxy)-6-(4-ethynyl-2-fluoroanilino)-4-fluorobenzamide
CID 76629412
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-(chloroamino)benzamide
CID 54562633
1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
CID 82536619
2-amino-3-(2-cyano-4-fluoroanilino)benzamide
CID 82684668
3-(4-ethynyl-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxamide;propane-1,3-diol
CID 143636140
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-2-fluoroanilino)benzamide?
The IUPAC name of 2-(4-ethynyl-2-fluoroanilino)benzamide (CID 140561717) is 2-(4-ethynyl-2-fluoroanilino)benzamide.
What is the SMILES notation for 2-(4-ethynyl-2-fluoroanilino)benzamide?
The canonical SMILES for 2-(4-ethynyl-2-fluoroanilino)benzamide is C#Cc1ccc(Nc2ccccc2C(N)=O)c(F)c1.
What is the InChIKey of 2-(4-ethynyl-2-fluoroanilino)benzamide?
The InChIKey is RFNDTHKXGUBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-2-10-7-8-14(12(16)9-10)18-13-6-4-3-5-11(13)15(17)19/h1,3-9,18H,(H2,17,19).
What are the key properties of 2-(4-ethynyl-2-fluoroanilino)benzamide?
2-(4-ethynyl-2-fluoroanilino)benzamide has a molecular weight of 254.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynyl-2-fluoroanilino)benzamide is sourced from PubChem (CID 140561717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).