2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide

C19H15ClN2O3 — CID 1258667

IUPAC2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccoc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-17-4-2-1-3-16(17)19(24)22-15-7-5-14(6-8-15)18(23)21-11-13-9-10-25-12-13/h1-10,12H,11H2,(H,21,23)(H,22,24)
InChIKeyMYBWDNLYBPQXFY-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide

2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 1258667) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID1258667
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccoc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-17-4-2-1-3-16(17)19(24)22-15-7-5-14(6-8-15)18(23)21-11-13-9-10-25-12-13/h1-10,12H,11H2,(H,21,23)(H,22,24)
InChIKeyMYBWDNLYBPQXFY-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide (CID 1258667) is 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCc1ccoc1)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is MYBWDNLYBPQXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-17-4-2-1-3-16(17)19(24)22-15-7-5-14(6-8-15)18(23)21-11-13-9-10-25-12-13/h1-10,12H,11H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide?
2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 354.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(furan-3-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1258667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).