N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide

C25H22FNO3 — CID 2965322

IUPACN-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C25H22FNO3/c26-21-12-10-19(11-13-21)18-27(25(28)24-9-5-17-30-24)15-14-22(23-8-4-16-29-23)20-6-2-1-3-7-20/h1-13,16-17,22H,14-15,18H2
InChIKeyOCQPLQXYVHFSCL-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.88
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide (PubChem CID 2965322) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
PubChem CID2965322
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C25H22FNO3/c26-21-12-10-19(11-13-21)18-27(25(28)24-9-5-17-30-24)15-14-22(23-8-4-16-29-23)20-6-2-1-3-7-20/h1-13,16-17,22H,14-15,18H2
InChIKeyOCQPLQXYVHFSCL-UHFFFAOYSA-N
XLogP5.88
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide (CID 2965322) is N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide is O=C(c1ccco1)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide?
The InChIKey is OCQPLQXYVHFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3/c26-21-12-10-19(11-13-21)18-27(25(28)24-9-5-17-30-24)15-14-22(23-8-4-16-29-23)20-6-2-1-3-7-20/h1-13,16-17,22H,14-15,18H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide is sourced from PubChem (CID 2965322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).