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

C22H27FN2O2 — CID 113170589

IUPAC2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-16(26)25(19-11-9-18(10-12-19)22(2,3)4)15-21(27)24-14-13-17-7-5-6-8-20(17)23/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyLAVXDYLJYPNGTQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.84
Rot. Bonds6

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

2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113170589) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113170589
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-16(26)25(19-11-9-18(10-12-19)22(2,3)4)15-21(27)24-14-13-17-7-5-6-8-20(17)23/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyLAVXDYLJYPNGTQ-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113172371
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 113170550
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113170589) is 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is LAVXDYLJYPNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(26)25(19-11-9-18(10-12-19)22(2,3)4)15-21(27)24-14-13-17-7-5-6-8-20(17)23/h5-12H,13-15H2,1-4H3,(H,24,27).
What are the key properties of 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113170589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).