N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide

C19H17FN4O2 — CID 56747288

IUPACN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C19H17FN4O2/c1-12-5-6-15(20)10-16(12)24-17(25)11-23-19(26)14-4-2-3-13(9-14)18-21-7-8-22-18/h2-10H,11H2,1H3,(H,21,22)(H,23,26)(H,24,25)
InChIKeyLFURPICZIBXVKE-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide

N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide (PubChem CID 56747288) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide
PubChem CID56747288
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C19H17FN4O2/c1-12-5-6-15(20)10-16(12)24-17(25)11-23-19(26)14-4-2-3-13(9-14)18-21-7-8-22-18/h2-10H,11H2,1H3,(H,21,22)(H,23,26)(H,24,25)
InChIKeyLFURPICZIBXVKE-UHFFFAOYSA-N
XLogP2.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide (CID 56747288) is N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide is Cc1ccc(F)cc1NC(=O)CNC(=O)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide?
The InChIKey is LFURPICZIBXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-5-6-15(20)10-16(12)24-17(25)11-23-19(26)14-4-2-3-13(9-14)18-21-7-8-22-18/h2-10H,11H2,1H3,(H,21,22)(H,23,26)(H,24,25).
What are the key properties of N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide?
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide has a molecular weight of 352.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-3-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 56747288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).