N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide

C21H23FN2O3 — CID 27451658

IUPACN-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23FN2O3/c22-18-8-6-16(7-9-18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,25)(H,24,26)
InChIKeyPSJBNBAFZKYRRU-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.31
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide (PubChem CID 27451658) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
PubChem CID27451658
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23FN2O3/c22-18-8-6-16(7-9-18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,25)(H,24,26)
InChIKeyPSJBNBAFZKYRRU-UHFFFAOYSA-N
XLogP2.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide (CID 27451658) is N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The InChIKey is PSJBNBAFZKYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-8-6-16(7-9-18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide has a molecular weight of 370.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide is sourced from PubChem (CID 27451658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).