N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide

C16H17N5O2 — CID 47007337

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H17N5O2/c1-12(7-8-15-6-3-9-23-15)18-16(22)13-4-2-5-14(10-13)21-11-17-19-20-21/h2-6,9-12H,7-8H2,1H3,(H,18,22)
InChIKeyJQLHIAIDCNSRKD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.01
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide

N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 47007337) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID47007337
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H17N5O2/c1-12(7-8-15-6-3-9-23-15)18-16(22)13-4-2-5-14(10-13)21-11-17-19-20-21/h2-6,9-12H,7-8H2,1H3,(H,18,22)
InChIKeyJQLHIAIDCNSRKD-UHFFFAOYSA-N
XLogP2.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide (CID 47007337) is N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide is CC(CCc1ccco1)NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is JQLHIAIDCNSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12(7-8-15-6-3-9-23-15)18-16(22)13-4-2-5-14(10-13)21-11-17-19-20-21/h2-6,9-12H,7-8H2,1H3,(H,18,22).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47007337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).