2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide

C19H23FN2O — CID 78836194

IUPAC2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
SMILESCCCCCc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O/c1-2-3-4-5-14-6-12-17(13-7-14)22-18(19(21)23)15-8-10-16(20)11-9-15/h6-13,18,22H,2-5H2,1H3,(H2,21,23)
InChIKeyZMWPLEQCJFHCBV-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.20
Rot. Bonds8

About 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide

2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide (PubChem CID 78836194) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
PubChem CID78836194
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
SMILESCCCCCc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O/c1-2-3-4-5-14-6-12-17(13-7-14)22-18(19(21)23)15-8-10-16(20)11-9-15/h6-13,18,22H,2-5H2,1H3,(H2,21,23)
InChIKeyZMWPLEQCJFHCBV-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-2-(4-pentylanilino)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

(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
1-(4-fluorophenyl)-N'-(4-octylphenyl)propane-1,3-diamine
CID 15181347
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
3-(4-bromophenyl)-3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-one
CID 17384476
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide (CID 78836194) is 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide is CCCCCc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide?
The InChIKey is ZMWPLEQCJFHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-2-3-4-5-14-6-12-17(13-7-14)22-18(19(21)23)15-8-10-16(20)11-9-15/h6-13,18,22H,2-5H2,1H3,(H2,21,23).
What are the key properties of 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide?
2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide has a molecular weight of 314.40 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide is sourced from PubChem (CID 78836194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).