N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide

C26H27FN4O2 — CID 60536969

IUPACN-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H27FN4O2/c27-23-13-10-21(17-24(23)30-25(32)16-19-6-2-1-3-7-19)28-18-26(33)29-20-8-11-22(12-9-20)31-14-4-5-15-31/h1-3,6-13,17,28H,4-5,14-16,18H2,(H,29,33)(H,30,32)
InChIKeyKYCULFOXWMRLJQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.66
Rot. Bonds8

About N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide

N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide (PubChem CID 60536969) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide
PubChem CID60536969
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide
SMILESO=C(CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H27FN4O2/c27-23-13-10-21(17-24(23)30-25(32)16-19-6-2-1-3-7-19)28-18-26(33)29-20-8-11-22(12-9-20)31-14-4-5-15-31/h1-3,6-13,17,28H,4-5,14-16,18H2,(H,29,33)(H,30,32)
InChIKeyKYCULFOXWMRLJQ-UHFFFAOYSA-N
XLogP4.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide (CID 60536969) is N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide is O=C(CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide?
The InChIKey is KYCULFOXWMRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-23-13-10-21(17-24(23)30-25(32)16-19-6-2-1-3-7-19)28-18-26(33)29-20-8-11-22(12-9-20)31-14-4-5-15-31/h1-3,6-13,17,28H,4-5,14-16,18H2,(H,29,33)(H,30,32).
What are the key properties of N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide?
N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 60536969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).