4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide

C23H24FNO2 — CID 1060597

IUPAC4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1
InChIInChI=1S/C23H24FNO2/c1-23(2,3)19-10-8-18(9-11-19)22(26)25(16-21-5-4-14-27-21)15-17-6-12-20(24)13-7-17/h4-14H,15-16H2,1-3H3
InChIKeyPWMQHXRPQBEKTR-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.56
Rot. Bonds5

About 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide

4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1060597) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1060597
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1
InChIInChI=1S/C23H24FNO2/c1-23(2,3)19-10-8-18(9-11-19)22(26)25(16-21-5-4-14-27-21)15-17-6-12-20(24)13-7-17/h4-14H,15-16H2,1-3H3
InChIKeyPWMQHXRPQBEKTR-UHFFFAOYSA-N
XLogP5.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 1060597) is 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PWMQHXRPQBEKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-23(2,3)19-10-8-18(9-11-19)22(26)25(16-21-5-4-14-27-21)15-17-6-12-20(24)13-7-17/h4-14H,15-16H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 365.45 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1060597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).