N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C18H18FN5O — CID 7306317

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O/c1-13-4-2-3-5-16(13)18-21-23-24(22-18)12-17(25)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyQCCBVLUBLKDIOY-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7306317) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7306317
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O/c1-13-4-2-3-5-16(13)18-21-23-24(22-18)12-17(25)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyQCCBVLUBLKDIOY-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 24592713
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
2-fluoro-N-[4-[2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440135
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598231
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 94469376
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7306317) is N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is QCCBVLUBLKDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-13-4-2-3-5-16(13)18-21-23-24(22-18)12-17(25)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7306317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).