3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide

C11H9Cl2N5O — CID 17177274

IUPAC3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N5O/c1-2-5-18-16-11(15-17-18)14-10(19)7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,14,16,19)
InChIKeyRMEPZDQVSSMKBB-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.42
Rot. Bonds4

About 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide

3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide (PubChem CID 17177274) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
PubChem CID17177274
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N5O/c1-2-5-18-16-11(15-17-18)14-10(19)7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,14,16,19)
InChIKeyRMEPZDQVSSMKBB-UHFFFAOYSA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-nitro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177304
3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162644
5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
CID 17027340
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
3-bromo-4-ethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177279
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177283
2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17177374
4-chloro-N-(2-propyltetrazol-5-yl)benzamide
CID 893922
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
N-(2-prop-2-enyltetrazol-5-yl)hexanamide
CID 17177295
5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole
CID 117063790

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide (CID 17177274) is 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide is C=CCn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The InChIKey is RMEPZDQVSSMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c1-2-5-18-16-11(15-17-18)14-10(19)7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,14,16,19).
What are the key properties of 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide has a molecular weight of 298.13 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17177274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).