3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C14H9Cl2N5O — CID 17163668

IUPAC3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N5O/c15-11-5-4-9(7-12(11)16)14(22)17-10-3-1-2-8(6-10)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyXKNLMYZGZVMFKR-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.43
Rot. Bonds3

About 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 17163668) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID17163668
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N5O/c15-11-5-4-9(7-12(11)16)14(22)17-10-3-1-2-8(6-10)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyXKNLMYZGZVMFKR-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

3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166211148
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 17163668) is 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is XKNLMYZGZVMFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-11-5-4-9(7-12(11)16)14(22)17-10-3-1-2-8(6-10)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21).
What are the key properties of 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]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 3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 17163668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).