4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide

C19H15ClFNO3 — CID 145364548

IUPAC4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C19H15ClFNO3/c20-17-6-1-13(9-18(17)21)12-25-16-4-2-15(3-5-16)19(23)22-10-14-7-8-24-11-14/h1-9,11H,10,12H2,(H,22,23)
InChIKeyHQFCDYPAWLTHOP-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.58
Rot. Bonds6

About 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide

4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide (PubChem CID 145364548) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide
PubChem CID145364548
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide
SMILESO=C(NCc1ccoc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C19H15ClFNO3/c20-17-6-1-13(9-18(17)21)12-25-16-4-2-15(3-5-16)19(23)22-10-14-7-8-24-11-14/h1-9,11H,10,12H2,(H,22,23)
InChIKeyHQFCDYPAWLTHOP-UHFFFAOYSA-N
XLogP4.58
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide (CID 145364548) is 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide is O=C(NCc1ccoc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide?
The InChIKey is HQFCDYPAWLTHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c20-17-6-1-13(9-18(17)21)12-25-16-4-2-15(3-5-16)19(23)22-10-14-7-8-24-11-14/h1-9,11H,10,12H2,(H,22,23).
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide?
4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide has a molecular weight of 359.78 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide is sourced from PubChem (CID 145364548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).