N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide

C20H21F2N7O — CID 134790238

IUPACN-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide
SMILESCc1cc(-n2nnnc2N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)ccc1F
InChIInChI=1S/C20H21F2N7O/c1-13-3-4-15(12-18(13)22)23-20(30)28-9-7-27(8-10-28)19-24-25-26-29(19)16-5-6-17(21)14(2)11-16/h3-6,11-12H,7-10H2,1-2H3,(H,23,30)
InChIKeyLOODVBIQBRTVLZ-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.91
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide (PubChem CID 134790238) has the molecular formula C20H21F2N7O and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide
PubChem CID134790238
Molecular FormulaC20H21F2N7O
Molecular Weight413.43 g/mol
Exact Mass413.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide
SMILESCc1cc(-n2nnnc2N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)ccc1F
InChIInChI=1S/C20H21F2N7O/c1-13-3-4-15(12-18(13)22)23-20(30)28-9-7-27(8-10-28)19-24-25-26-29(19)16-5-6-17(21)14(2)11-16/h3-6,11-12H,7-10H2,1-2H3,(H,23,30)
InChIKeyLOODVBIQBRTVLZ-UHFFFAOYSA-N
XLogP2.91
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide (CID 134790238) is N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide is Cc1cc(-n2nnnc2N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)ccc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide?
The InChIKey is LOODVBIQBRTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O/c1-13-3-4-15(12-18(13)22)23-20(30)28-9-7-27(8-10-28)19-24-25-26-29(19)16-5-6-17(21)14(2)11-16/h3-6,11-12H,7-10H2,1-2H3,(H,23,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 134790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).