N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide

C21H25FN2O2 — CID 113059185

IUPACN-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-15(25)24(19-8-6-5-7-18(19)22)14-13-23-20(26)16-9-11-17(12-10-16)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyUYFSALMIMIKDFR-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide (PubChem CID 113059185) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
PubChem CID113059185
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-15(25)24(19-8-6-5-7-18(19)22)14-13-23-20(26)16-9-11-17(12-10-16)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyUYFSALMIMIKDFR-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide (CID 113059185) is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide?
The InChIKey is UYFSALMIMIKDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(25)24(19-8-6-5-7-18(19)22)14-13-23-20(26)16-9-11-17(12-10-16)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide?
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113059185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).