2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H9Cl2N5O — CID 7692783

IUPAC2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-9-4-5-13(16)12(6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyCNFBRHNGMZTACZ-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.22
Rot. Bonds3

About 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide

2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7692783) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7692783
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-9-4-5-13(16)12(6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyCNFBRHNGMZTACZ-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937
(2-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 4793500
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 8753002
N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
CID 779648
2,4-dichloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7711326
N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 9115033
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7692783) is 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is CNFBRHNGMZTACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-9-4-5-13(16)12(6-9)14(22)18-10-2-1-3-11(7-10)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7692783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).