N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H11F3N6O — CID 78958210

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)6-15-5-9(21)16-8-3-1-2-7(4-8)10-17-19-20-18-10/h1-4,15H,5-6H2,(H,16,21)(H,17,18,19,20)
InChIKeyWBISCIYMZJOXDL-UHFFFAOYSA-N
MW300.24 g/mol
LogP0.96
Rot. Bonds5

About N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958210) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958210
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)6-15-5-9(21)16-8-3-1-2-7(4-8)10-17-19-20-18-10/h1-4,15H,5-6H2,(H,16,21)(H,17,18,19,20)
InChIKeyWBISCIYMZJOXDL-UHFFFAOYSA-N
XLogP0.96
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 95908828
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958210) is N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WBISCIYMZJOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c12-11(13,14)6-15-5-9(21)16-8-3-1-2-7(4-8)10-17-19-20-18-10/h1-4,15H,5-6H2,(H,16,21)(H,17,18,19,20).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 300.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).