3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide

C18H18FN5O — CID 51096590

IUPAC3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(-c2nnn(Cc3cccc(C(=O)N(C)C)c3)n2)ccc1F
InChIInChI=1S/C18H18FN5O/c1-12-9-14(7-8-16(12)19)17-20-22-24(21-17)11-13-5-4-6-15(10-13)18(25)23(2)3/h4-10H,11H2,1-3H3
InChIKeyGHEAQUURIVRCMY-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.54
Rot. Bonds4

About 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide

3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 51096590) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
PubChem CID51096590
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
SMILESCc1cc(-c2nnn(Cc3cccc(C(=O)N(C)C)c3)n2)ccc1F
InChIInChI=1S/C18H18FN5O/c1-12-9-14(7-8-16(12)19)17-20-22-24(21-17)11-13-5-4-6-15(10-13)18(25)23(2)3/h4-10H,11H2,1-3H3
InChIKeyGHEAQUURIVRCMY-UHFFFAOYSA-N
XLogP2.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
CID 166200587
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51096564
methyl 4-[[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetyl]amino]butanoate
CID 51096573
ethyl 4-[[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetyl]amino]butanoate
CID 60599335
3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 146125914
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
(3-chlorophenyl)methyl 4-[2-[(3-chlorophenyl)methyl]tetrazol-5-yl]benzoate
CID 4917938
3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 47068537
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813057

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide (CID 51096590) is 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide is Cc1cc(-c2nnn(Cc3cccc(C(=O)N(C)C)c3)n2)ccc1F.
What is the InChIKey of 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is GHEAQUURIVRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-9-14(7-8-16(12)19)17-20-22-24(21-17)11-13-5-4-6-15(10-13)18(25)23(2)3/h4-10H,11H2,1-3H3.
What are the key properties of 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide?
3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 51096590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).