4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

C16H15BrN2O2 — CID 102851366

IUPAC4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H15BrN2O2/c17-11-13-4-6-14(7-5-13)16(20)19(9-2-8-18)12-15-3-1-10-21-15/h1,3-7,10H,2,9,11-12H2
InChIKeyAMQAAXJIHXSRLB-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.73
Rot. Bonds6

About 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide

4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 102851366) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID102851366
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H15BrN2O2/c17-11-13-4-6-14(7-5-13)16(20)19(9-2-8-18)12-15-3-1-10-21-15/h1,3-7,10H,2,9,11-12H2
InChIKeyAMQAAXJIHXSRLB-UHFFFAOYSA-N
XLogP3.73
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylcarbamoylamino)benzamide
CID 47090922
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide (CID 102851366) is 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is N#CCCN(Cc1ccco1)C(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is AMQAAXJIHXSRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-11-13-4-6-14(7-5-13)16(20)19(9-2-8-18)12-15-3-1-10-21-15/h1,3-7,10H,2,9,11-12H2.
What are the key properties of 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide?
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 347.21 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 102851366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).