N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide

C20H18FN7O — CID 169413656

IUPACN-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide
SMILESCCn1nnc(-c2cccc(NC(=O)c3cc(F)cc(-c4ccnn4C)c3)c2)n1
InChIInChI=1S/C20H18FN7O/c1-3-28-25-19(24-26-28)13-5-4-6-17(12-13)23-20(29)15-9-14(10-16(21)11-15)18-7-8-22-27(18)2/h4-12H,3H2,1-2H3,(H,23,29)
InChIKeyMSLDKBVLQDEFIH-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.15
Rot. Bonds5

About N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide

N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide (PubChem CID 169413656) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide
PubChem CID169413656
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide
SMILESCCn1nnc(-c2cccc(NC(=O)c3cc(F)cc(-c4ccnn4C)c3)c2)n1
InChIInChI=1S/C20H18FN7O/c1-3-28-25-19(24-26-28)13-5-4-6-17(12-13)23-20(29)15-9-14(10-16(21)11-15)18-7-8-22-27(18)2/h4-12H,3H2,1-2H3,(H,23,29)
InChIKeyMSLDKBVLQDEFIH-UHFFFAOYSA-N
XLogP3.15
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
2-[3-(2-ethyltetrazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606710
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
ethyl 5-[3-[(3,5-difluorobenzoyl)amino]phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 46094099
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 125177307
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
3-fluoro-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pyridin-3-ylbenzamide
CID 169414799
N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
CID 86874612
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide (CID 169413656) is N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide is CCn1nnc(-c2cccc(NC(=O)c3cc(F)cc(-c4ccnn4C)c3)c2)n1.
What is the InChIKey of N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is MSLDKBVLQDEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-3-28-25-19(24-26-28)13-5-4-6-17(12-13)23-20(29)15-9-14(10-16(21)11-15)18-7-8-22-27(18)2/h4-12H,3H2,1-2H3,(H,23,29).
What are the key properties of N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide?
N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 391.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyltetrazol-5-yl)phenyl]-3-fluoro-5-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 169413656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).