N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide

C14H9Cl2N5O — CID 16648846

IUPACN-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H9Cl2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyQKNYNTZXJYVIBP-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.22
Rot. Bonds3

About N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide

N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 16648846) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID16648846
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC NameN-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H9Cl2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyQKNYNTZXJYVIBP-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

N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 16549853
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide (CID 16648846) is N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is QKNYNTZXJYVIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-10-4-5-12(16)13(7-10)18-14(22)9-2-1-3-11(6-9)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide?
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)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 N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 16648846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).