2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

C16H13ClFN5OS — CID 38679864

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFN5OS/c1-25-16-20-21-22-23(16)11-5-2-4-10(8-11)19-15(24)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyBLBDKLURJHEGTH-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (PubChem CID 38679864) has the molecular formula C16H13ClFN5OS and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
PubChem CID38679864
Molecular FormulaC16H13ClFN5OS
Molecular Weight377.83 g/mol
Exact Mass377.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFN5OS/c1-25-16-20-21-22-23(16)11-5-2-4-10(8-11)19-15(24)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyBLBDKLURJHEGTH-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (CID 38679864) is 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is CSc1nnnn1-c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is BLBDKLURJHEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5OS/c1-25-16-20-21-22-23(16)11-5-2-4-10(8-11)19-15(24)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 377.83 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 38679864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).