N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide

C16H12F4N6O — CID 59708615

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N6O/c17-14-5-4-11(7-13(14)16(18,19)20)23-15(27)8-21-10-2-1-3-12(6-10)26-9-22-24-25-26/h1-7,9,21H,8H2,(H,23,27)
InChIKeyUXFQUURKDSRBMF-UHFFFAOYSA-N
MW380.31 g/mol
LogP2.87
Rot. Bonds5

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide (PubChem CID 59708615) has the molecular formula C16H12F4N6O and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide
PubChem CID59708615
Molecular FormulaC16H12F4N6O
Molecular Weight380.31 g/mol
Exact Mass380.10
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N6O/c17-14-5-4-11(7-13(14)16(18,19)20)23-15(27)8-21-10-2-1-3-12(6-10)26-9-22-24-25-26/h1-7,9,21H,8H2,(H,23,27)
InChIKeyUXFQUURKDSRBMF-UHFFFAOYSA-N
XLogP2.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide (CID 59708615) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide is O=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is UXFQUURKDSRBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N6O/c17-14-5-4-11(7-13(14)16(18,19)20)23-15(27)8-21-10-2-1-3-12(6-10)26-9-22-24-25-26/h1-7,9,21H,8H2,(H,23,27).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 380.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 59708615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).