3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

C15H13BrN2O2 — CID 60654625

IUPAC3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-13-5-1-4-12(10-13)15(19)18(8-3-7-17)11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,8,11H2
InChIKeyVJXVVRTZALOEAC-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.60
Rot. Bonds5

About 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 60654625) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID60654625
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-13-5-1-4-12(10-13)15(19)18(8-3-7-17)11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,8,11H2
InChIKeyVJXVVRTZALOEAC-UHFFFAOYSA-N
XLogP3.60
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
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
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (CID 60654625) is 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is N#CCCN(Cc1ccco1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is VJXVVRTZALOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-13-5-1-4-12(10-13)15(19)18(8-3-7-17)11-14-6-2-9-20-14/h1-2,4-6,9-10H,3,8,11H2.
What are the key properties of 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 60654625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).