4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

C15H15BrN2O3 — CID 9314147

IUPAC4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C15H15BrN2O3/c16-12-5-3-11(4-6-12)15(20)17-8-7-14(19)18-10-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyGEPCKZJZFKFQCN-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.48
Rot. Bonds6

About 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (PubChem CID 9314147) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
PubChem CID9314147
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C15H15BrN2O3/c16-12-5-3-11(4-6-12)15(20)17-8-7-14(19)18-10-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyGEPCKZJZFKFQCN-UHFFFAOYSA-N
XLogP2.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (CID 9314147) is 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccco1.
What is the InChIKey of 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The InChIKey is GEPCKZJZFKFQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-12-5-3-11(4-6-12)15(20)17-8-7-14(19)18-10-13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,20)(H,18,19).
What are the key properties of 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide has a molecular weight of 351.20 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 9314147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).