3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide

C19H16F2N4O2 — CID 136578908

IUPAC3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H16F2N4O2/c20-15-6-5-13(9-16(15)21)19(27)24-11-18(26)23-10-14-3-1-2-4-17(14)25-8-7-22-12-25/h1-9,12H,10-11H2,(H,23,26)(H,24,27)
InChIKeyLYQTVDHKOADKCS-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.20
Rot. Bonds6

About 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 136578908) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID136578908
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H16F2N4O2/c20-15-6-5-13(9-16(15)21)19(27)24-11-18(26)23-10-14-3-1-2-4-17(14)25-8-7-22-12-25/h1-9,12H,10-11H2,(H,23,26)(H,24,27)
InChIKeyLYQTVDHKOADKCS-UHFFFAOYSA-N
XLogP2.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzamide
CID 30378175
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 97186840
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide (CID 136578908) is 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is LYQTVDHKOADKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-15-6-5-13(9-16(15)21)19(27)24-11-18(26)23-10-14-3-1-2-4-17(14)25-8-7-22-12-25/h1-9,12H,10-11H2,(H,23,26)(H,24,27).
What are the key properties of 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 370.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 136578908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).