N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide

C14H13N5O2 — CID 53370069

IUPACN-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13N5O2/c1-10-16-17-18-19(10)12-6-4-11(5-7-12)14(20)15-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,15,20)
InChIKeyZKENSXFWDCDUHG-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.49
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide

N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide (PubChem CID 53370069) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
PubChem CID53370069
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13N5O2/c1-10-16-17-18-19(10)12-6-4-11(5-7-12)14(20)15-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,15,20)
InChIKeyZKENSXFWDCDUHG-UHFFFAOYSA-N
XLogP1.49
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
CID 46974468
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 95916057
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 17015687
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 858459

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide (CID 53370069) is N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is ZKENSXFWDCDUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-10-16-17-18-19(10)12-6-4-11(5-7-12)14(20)15-9-13-3-2-8-21-13/h2-8H,9H2,1H3,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide?
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 283.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 53370069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).