2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide

C18H16F2N4O — CID 146126693

IUPAC2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2F)nnc1-c1ccccc1
InChIInChI=1S/C18H16F2N4O/c1-24-15(22-23-17(24)12-6-3-2-4-7-12)10-11-21-18(25)13-8-5-9-14(19)16(13)20/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyBVFIYVOODYIQLX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.73
Rot. Bonds5

About 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide

2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 146126693) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID146126693
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2F)nnc1-c1ccccc1
InChIInChI=1S/C18H16F2N4O/c1-24-15(22-23-17(24)12-6-3-2-4-7-12)10-11-21-18(25)13-8-5-9-14(19)16(13)20/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyBVFIYVOODYIQLX-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126691
5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
CID 167833427
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbut-2-enamide
CID 91944345
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 146126693) is 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cn1c(CCNC(=O)c2cccc(F)c2F)nnc1-c1ccccc1.
What is the InChIKey of 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is BVFIYVOODYIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-24-15(22-23-17(24)12-6-3-2-4-7-12)10-11-21-18(25)13-8-5-9-14(19)16(13)20/h2-9H,10-11H2,1H3,(H,21,25).
What are the key properties of 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).