5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide

C15H11Cl2N5O2 — CID 17027340

IUPAC5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
SMILESC=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1
InChIInChI=1S/C15H11Cl2N5O2/c1-2-7-22-20-15(19-21-22)18-14(23)13-6-5-12(24-13)9-3-4-10(16)11(17)8-9/h2-6,8H,1,7H2,(H,18,20,23)
InChIKeyQMHWPJSTRGARKN-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.68
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide

5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide (PubChem CID 17027340) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
PubChem CID17027340
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC Name5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
SMILESC=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1
InChIInChI=1S/C15H11Cl2N5O2/c1-2-7-22-20-15(19-21-22)18-14(23)13-6-5-12(24-13)9-3-4-10(16)11(17)8-9/h2-6,8H,1,7H2,(H,18,20,23)
InChIKeyQMHWPJSTRGARKN-UHFFFAOYSA-N
XLogP3.68
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274
5-(3-chloro-4-methylphenyl)-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]furan-2-carboxamide
CID 22777137
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide
CID 17027338
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
5-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 924589
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide (CID 17027340) is 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide is C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide?
The InChIKey is QMHWPJSTRGARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c1-2-7-22-20-15(19-21-22)18-14(23)13-6-5-12(24-13)9-3-4-10(16)11(17)8-9/h2-6,8H,1,7H2,(H,18,20,23).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide?
5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 17027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).