N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

C12H13FN6O2 — CID 9150717

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnnn1
InChIInChI=1S/C12H13FN6O2/c1-18(12(21)7-19-8-14-16-17-19)6-11(20)15-10-4-2-3-9(13)5-10/h2-5,8H,6-7H2,1H3,(H,15,20)
InChIKeyFWWDLOBUJUZGTC-UHFFFAOYSA-N
MW292.27 g/mol
LogP-0.09
Rot. Bonds5

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 9150717) has the molecular formula C12H13FN6O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID9150717
Molecular FormulaC12H13FN6O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnnn1
InChIInChI=1S/C12H13FN6O2/c1-18(12(21)7-19-8-14-16-17-19)6-11(20)15-10-4-2-3-9(13)5-10/h2-5,8H,6-7H2,1H3,(H,15,20)
InChIKeyFWWDLOBUJUZGTC-UHFFFAOYSA-N
XLogP-0.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9150848
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (CID 9150717) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnnn1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is FWWDLOBUJUZGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6O2/c1-18(12(21)7-19-8-14-16-17-19)6-11(20)15-10-4-2-3-9(13)5-10/h2-5,8H,6-7H2,1H3,(H,15,20).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 292.27 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9150717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).