N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C21H20F3N5O — CID 55497594

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1
InChIInChI=1S/C21H20F3N5O/c1-29-18(26-27-28-29)14-6-4-9-17(12-14)25-19(30)20(10-2-3-11-20)15-7-5-8-16(13-15)21(22,23)24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,30)
InChIKeyROOWWVWODJBSOD-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.35
Rot. Bonds4

About N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 55497594) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID55497594
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1
InChIInChI=1S/C21H20F3N5O/c1-29-18(26-27-28-29)14-6-4-9-17(12-14)25-19(30)20(10-2-3-11-20)15-7-5-8-16(13-15)21(22,23)24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,30)
InChIKeyROOWWVWODJBSOD-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55811816
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 55497594) is N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is Cn1nnnc1-c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ROOWWVWODJBSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-29-18(26-27-28-29)14-6-4-9-17(12-14)25-19(30)20(10-2-3-11-20)15-7-5-8-16(13-15)21(22,23)24/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,30).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55497594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).