2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C14H9ClFN5O — CID 17165094

IUPAC2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClFN5O/c15-10-5-2-6-11(16)12(10)14(22)17-9-4-1-3-8(7-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyPPEKARWSBHKAJC-UHFFFAOYSA-N
MW317.71 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 17165094) has the molecular formula C14H9ClFN5O and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID17165094
Molecular FormulaC14H9ClFN5O
Molecular Weight317.71 g/mol
Exact Mass317.05
IUPAC Name2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClFN5O/c15-10-5-2-6-11(16)12(10)14(22)17-9-4-1-3-8(7-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21)
InChIKeyPPEKARWSBHKAJC-UHFFFAOYSA-N
XLogP2.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 17165094) is 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is PPEKARWSBHKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN5O/c15-10-5-2-6-11(16)12(10)14(22)17-9-4-1-3-8(7-9)13-18-20-21-19-13/h1-7H,(H,17,22)(H,18,19,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 317.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 17165094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).