2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide

C20H21F2N3O2 — CID 113177074

IUPAC2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H21F2N3O2/c1-14(26)25(13-20(27)23-19-9-4-15(21)12-18(19)22)17-7-5-16(6-8-17)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,27)
InChIKeyKWSAHKCJFFGDHP-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.56
Rot. Bonds5

About 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide

2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide (PubChem CID 113177074) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
PubChem CID113177074
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H21F2N3O2/c1-14(26)25(13-20(27)23-19-9-4-15(21)12-18(19)22)17-7-5-16(6-8-17)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,27)
InChIKeyKWSAHKCJFFGDHP-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.56
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-(N-acetyl-4-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167823
2-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113169375
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113177176
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide (CID 113177074) is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is KWSAHKCJFFGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-14(26)25(13-20(27)23-19-9-4-15(21)12-18(19)22)17-7-5-16(6-8-17)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,27).
What are the key properties of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide?
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 373.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113177074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).