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

C10H7Cl2N5O — CID 17162644

IUPAC3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
SMILESC=Cn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl2N5O/c1-2-17-15-10(14-16-17)13-9(18)6-3-4-7(11)8(12)5-6/h2-5H,1H2,(H,13,15,18)
InChIKeyKFCNZXFJSTXUOG-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.33
Rot. Bonds3

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

3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide (PubChem CID 17162644) has the molecular formula C10H7Cl2N5O and a molecular weight of 284.11 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
PubChem CID17162644
Molecular FormulaC10H7Cl2N5O
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
SMILESC=Cn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl2N5O/c1-2-17-15-10(14-16-17)13-9(18)6-3-4-7(11)8(12)5-6/h2-5H,1H2,(H,13,15,18)
InChIKeyKFCNZXFJSTXUOG-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162632
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274
N-(2-ethenyltetrazol-5-yl)acetamide
CID 17162682
N-(2-ethenyltetrazol-5-yl)thiophene-2-carboxamide
CID 17162708
4-chloro-3-nitro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177304
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
CID 17027340
3-bromo-4-ethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177279
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-chloro-N-(2-propyltetrazol-5-yl)benzamide
CID 893922

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide (CID 17162644) is 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide is C=Cn1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide?
The InChIKey is KFCNZXFJSTXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O/c1-2-17-15-10(14-16-17)13-9(18)6-3-4-7(11)8(12)5-6/h2-5H,1H2,(H,13,15,18).
What are the key properties of 3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide?
3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide has a molecular weight of 284.11 g/mol, XLogP of 2.33, 3 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-ethenyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17162644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).