N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide

C14H9Cl2N5O — CID 23541021

IUPACN-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9Cl2N5O/c15-11-6-5-10(7-12(11)16)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyHAHHZJRHHGIHKY-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.43
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide

N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 23541021) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID23541021
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC NameN-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H9Cl2N5O/c15-11-6-5-10(7-12(11)16)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyHAHHZJRHHGIHKY-UHFFFAOYSA-N
XLogP3.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-3-phenyl-4-[2-(1H-tetrazol-5-yl)-ethyl]-1H-quinolin-2-one
CID 10736687
3-(2-(3,4-dichlorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817222
3-chloro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6465693
N-phenyl-4-(2H-tetrazol-5-yl)benzamide
CID 10106908
N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541035
N-(4-fluorophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541036
N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 59364077
3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 172991033
N-[4-(aminocarbonyl)phenyl]-4-(2H-tetrazol-5-yl)Benzamide
CID 10267246
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
CID 17180029
4-(tert-butyl)-N-(5-chloro-2-(1H-tetrazol-5-yl)phenyl)benzamide
CID 46916168

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide (CID 23541021) is N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is HAHHZJRHHGIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-11-6-5-10(7-12(11)16)17-14(22)9-3-1-8(2-4-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 23541021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).