4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide

C23H23ClFNO3 — CID 19120118

IUPAC4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C23H23ClFNO3/c1-2-3-13-28-18-11-9-17(10-12-18)23(27)26(15-19-6-5-14-29-19)16-20-21(24)7-4-8-22(20)25/h4-12,14H,2-3,13,15-16H2,1H3
InChIKeyWAKWWIKKGLGHNA-UHFFFAOYSA-N
MW415.89 g/mol
LogP6.09
Rot. Bonds9

About 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide

4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 19120118) has the molecular formula C23H23ClFNO3 and a molecular weight of 415.89 g/mol. Its IUPAC name is 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID19120118
Molecular FormulaC23H23ClFNO3
Molecular Weight415.89 g/mol
Exact Mass415.14
IUPAC Name4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C23H23ClFNO3/c1-2-3-13-28-18-11-9-17(10-12-18)23(27)26(15-19-6-5-14-29-19)16-20-21(24)7-4-8-22(20)25/h4-12,14H,2-3,13,15-16H2,1H3
InChIKeyWAKWWIKKGLGHNA-UHFFFAOYSA-N
XLogP6.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.89
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 19120118) is 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide is CCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WAKWWIKKGLGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO3/c1-2-3-13-28-18-11-9-17(10-12-18)23(27)26(15-19-6-5-14-29-19)16-20-21(24)7-4-8-22(20)25/h4-12,14H,2-3,13,15-16H2,1H3.
What are the key properties of 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide?
4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 415.89 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 19120118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).