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

C19H21FN2O2 — CID 772126

IUPAC4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-12-17(23)22-16-6-4-5-15(20)11-16/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCMUFOBSADDFHCX-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.49
Rot. Bonds4

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

4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 772126) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID772126
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-12-17(23)22-16-6-4-5-15(20)11-16/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCMUFOBSADDFHCX-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 27229119
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (CID 772126) is 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is CMUFOBSADDFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)21-12-17(23)22-16-6-4-5-15(20)11-16/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 772126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).