N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide

C21H25FN2O2 — CID 113059098

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

About N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide (PubChem CID 113059098) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
PubChem CID113059098
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25FN2O2/c1-15(25)24(19-11-7-17(8-12-19)21(2,3)4)14-13-23-20(26)16-5-9-18(22)10-6-16/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyDZLQAXJHZVVSRK-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-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide (CID 113059098) is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide?
The InChIKey is DZLQAXJHZVVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(25)24(19-11-7-17(8-12-19)21(2,3)4)14-13-23-20(26)16-5-9-18(22)10-6-16/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide?
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide 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-4-tert-butylanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113059098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).