(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate

C19H16ClNO3 — CID 2390416

IUPAC(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H16ClNO3/c20-15-9-7-14(8-10-15)13-24-19(22)17-5-1-2-6-18(17)21-12-16-4-3-11-23-16/h1-11,21H,12-13H2
InChIKeyLJBBHDHTQWOYDP-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.90
Rot. Bonds6

About (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate

(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate (PubChem CID 2390416) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate
PubChem CID2390416
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H16ClNO3/c20-15-9-7-14(8-10-15)13-24-19(22)17-5-1-2-6-18(17)21-12-16-4-3-11-23-16/h1-11,21H,12-13H2
InChIKeyLJBBHDHTQWOYDP-UHFFFAOYSA-N
XLogP4.90
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate (CID 2390416) is (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate is O=C(OCc1ccc(Cl)cc1)c1ccccc1NCc1ccco1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is LJBBHDHTQWOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-15-9-7-14(8-10-15)13-24-19(22)17-5-1-2-6-18(17)21-12-16-4-3-11-23-16/h1-11,21H,12-13H2.
What are the key properties of (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate?
(4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 341.79 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 2390416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).