N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide

C21H23FN2O3 — CID 86849698

IUPACN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C21H23FN2O3/c1-14(23-21(26)17-9-10-27-13-17)15-6-4-7-18(11-15)24-20(25)12-16-5-2-3-8-19(16)22/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBURHYRYSXIBYFT-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.22
Rot. Bonds6

About N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 86849698) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
PubChem CID86849698
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C21H23FN2O3/c1-14(23-21(26)17-9-10-27-13-17)15-6-4-7-18(11-15)24-20(25)12-16-5-2-3-8-19(16)22/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBURHYRYSXIBYFT-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 167908451
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 87045585
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981
3-[3-[1-(oxolane-3-carbonylamino)ethyl]phenyl]prop-2-enoic acid
CID 76907581
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
(3R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
CID 96529069

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide (CID 86849698) is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide is CC(NC(=O)C1CCOC1)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is BURHYRYSXIBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(23-21(26)17-9-10-27-13-17)15-6-4-7-18(11-15)24-20(25)12-16-5-2-3-8-19(16)22/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide?
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 86849698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).