3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C14H10ClN5O — CID 6465693

IUPAC3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyVDLTXGIQQVGSKO-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.77
Rot. Bonds3

About 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 6465693) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID6465693
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyVDLTXGIQQVGSKO-UHFFFAOYSA-N
XLogP2.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Andolast
CID 65970
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
7-Chloro-3-phenyl-4-[2-(1H-tetrazol-5-yl)-ethyl]-1H-quinolin-2-one
CID 10736687
1-(2-chloro-4-fluorobenzoyl)-3-[2-chloro-4-(1H-tetrazol-5-yl)phenyl]urea
CID 11625371
3-Amino-N-[3-(1H-tetrazol-5-yl)-phenyl]-5-trifluoromethyl-benzamide
CID 70688017
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-[(Dimethylamino)methyl]-N-[3-(1h-Tetrazol-5-Yl)phenyl]benzamide
CID 56851707
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-chlorobenzamide
CID 145955278
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-4-chlorobenzamide
CID 145958540
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-2-chlorobenzamide
CID 145959908
5-chloro-N-[3-(1H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 6466839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 6465693) is 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is VDLTXGIQQVGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20).
What are the key properties of 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 299.72 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 6465693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).