5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

C18H14ClN5O2 — CID 20894854

IUPAC5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2cc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-10-7-16-14(8-15(10)19)11(2)17(26-16)18(25)21-12-3-5-13(6-4-12)24-9-20-22-23-24/h3-9H,1-2H3,(H,21,25)
InChIKeyFGMWBDKTAFKXNL-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 20894854) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID20894854
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2cc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-10-7-16-14(8-15(10)19)11(2)17(26-16)18(25)21-12-3-5-13(6-4-12)24-9-20-22-23-24/h3-9H,1-2H3,(H,21,25)
InChIKeyFGMWBDKTAFKXNL-UHFFFAOYSA-N
XLogP3.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide 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

5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 118984810
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 9450875
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073
5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 45154993
4-ethyl-5-methyl-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 17419224
3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 60575788
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852712

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 20894854) is 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FGMWBDKTAFKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-10-7-16-14(8-15(10)19)11(2)17(26-16)18(25)21-12-3-5-13(6-4-12)24-9-20-22-23-24/h3-9H,1-2H3,(H,21,25).
What are the key properties of 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20894854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).