N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C18H17FN6O2 — CID 7278076

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H17FN6O2/c1-24(11-16(26)20-15-9-7-14(19)8-10-15)17(27)12-25-22-18(21-23-25)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,26)
InChIKeyRTGOTBVJWTTXAB-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7278076) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7278076
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H17FN6O2/c1-24(11-16(26)20-15-9-7-14(19)8-10-15)17(27)12-25-22-18(21-23-25)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,26)
InChIKeyRTGOTBVJWTTXAB-UHFFFAOYSA-N
XLogP1.58
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 7278076) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is RTGOTBVJWTTXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-24(11-16(26)20-15-9-7-14(19)8-10-15)17(27)12-25-22-18(21-23-25)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,26).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 368.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7278076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).