3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide

C19H16F2N4O2 — CID 49493945

IUPAC3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16F2N4O2/c20-14-6-13(7-15(21)8-14)19(27)24-11-18(26)23-10-17-22-9-16(25-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyUMQVUYMIINZQPR-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.40
Rot. Bonds6

About 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide

3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide (PubChem CID 49493945) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
PubChem CID49493945
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H16F2N4O2/c20-14-6-13(7-15(21)8-14)19(27)24-11-18(26)23-10-17-22-9-16(25-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyUMQVUYMIINZQPR-UHFFFAOYSA-N
XLogP2.40
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide (CID 49493945) is 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide is O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide?
The InChIKey is UMQVUYMIINZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-14-6-13(7-15(21)8-14)19(27)24-11-18(26)23-10-17-22-9-16(25-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide?
3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide has a molecular weight of 370.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 49493945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).