2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide

C22H28FN3O2 — CID 113164445

IUPAC2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-25(5-2)21-12-10-20(11-13-21)24-22(28)16-26(17(3)27)15-14-18-6-8-19(23)9-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyCDPGAMZQOVUABY-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.70
Rot. Bonds9

About 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113164445) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113164445
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-25(5-2)21-12-10-20(11-13-21)24-22(28)16-26(17(3)27)15-14-18-6-8-19(23)9-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyCDPGAMZQOVUABY-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164429

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide (CID 113164445) is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(CCc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is CDPGAMZQOVUABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-4-25(5-2)21-12-10-20(11-13-21)24-22(28)16-26(17(3)27)15-14-18-6-8-19(23)9-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28).
What are the key properties of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113164445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).