N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C16H13ClFN5O — CID 1227085

IUPACN-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C16H13ClFN5O/c1-10-12(17)6-4-8-14(10)19-15(24)9-23-21-16(20-22-23)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyGXIJQVOQTBWUOW-UHFFFAOYSA-N
MW345.77 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1227085) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1227085
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C16H13ClFN5O/c1-10-12(17)6-4-8-14(10)19-15(24)9-23-21-16(20-22-23)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeyGXIJQVOQTBWUOW-UHFFFAOYSA-N
XLogP3.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-{[3-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-ol
CID 135372750
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7278076
2-[5-(2-Aminophenyl)-2H-1,2,3,4-tetrazol-2-YL]-N-(4-ethylphenyl)acetamide
CID 858730
N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3220587
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 24982613
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7634191
N-(2-Fluoro-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 579008
Acetamide, 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4-difluorophenyl)-
CID 586782
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 586784
Acetamide, N-(4-bromophenyl)-2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-
CID 596748
N-(2,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 673021
N-(4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 709177

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 1227085) is N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1nnc(-c2ccccc2F)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is GXIJQVOQTBWUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c1-10-12(17)6-4-8-14(10)19-15(24)9-23-21-16(20-22-23)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 345.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1227085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).