3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

C15H12Br2N2O2 — CID 103908367

IUPAC3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-7-11(8-13(17)9-12)15(20)19(5-2-4-18)10-14-3-1-6-21-14/h1,3,6-9H,2,5,10H2
InChIKeyPRYYQBVRAORQGZ-UHFFFAOYSA-N
MW412.08 g/mol
LogP4.36
Rot. Bonds5

About 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 103908367) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID103908367
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-7-11(8-13(17)9-12)15(20)19(5-2-4-18)10-14-3-1-6-21-14/h1,3,6-9H,2,5,10H2
InChIKeyPRYYQBVRAORQGZ-UHFFFAOYSA-N
XLogP4.36
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 114917928
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
CID 47090922

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (CID 103908367) is 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is N#CCCN(Cc1ccco1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PRYYQBVRAORQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c16-12-7-11(8-13(17)9-12)15(20)19(5-2-4-18)10-14-3-1-6-21-14/h1,3,6-9H,2,5,10H2.
What are the key properties of 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 412.08 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 103908367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).