2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

C18H13F6N5O2 — CID 78864201

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13F6N5O2/c1-10-26-27-28-29(10)14-4-2-3-13(8-14)25-16(30)9-31-15-6-11(17(19,20)21)5-12(7-15)18(22,23)24/h2-8H,9H2,1H3,(H,25,30)
InChIKeyLMIFLPYCNXSEOQ-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.03
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 78864201) has the molecular formula C18H13F6N5O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID78864201
Molecular FormulaC18H13F6N5O2
Molecular Weight445.32 g/mol
Exact Mass445.10
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13F6N5O2/c1-10-26-27-28-29(10)14-4-2-3-13(8-14)25-16(30)9-31-15-6-11(17(19,20)21)5-12(7-15)18(22,23)24/h2-8H,9H2,1H3,(H,25,30)
InChIKeyLMIFLPYCNXSEOQ-UHFFFAOYSA-N
XLogP4.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 78864201) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is LMIFLPYCNXSEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5O2/c1-10-26-27-28-29(10)14-4-2-3-13(8-14)25-16(30)9-31-15-6-11(17(19,20)21)5-12(7-15)18(22,23)24/h2-8H,9H2,1H3,(H,25,30).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 445.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 78864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).