3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide

C17H13F5N2O2 — CID 119039957

IUPAC3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNC(=O)C(F)C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C17H13F5N2O2/c18-12-5-2-4-11(8-12)15(25)24-13-6-1-3-10(7-13)9-23-16(26)14(19)17(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25)
InChIKeyDZOBMEGFXZQDFY-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.59
Rot. Bonds5

About 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide

3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide (PubChem CID 119039957) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
PubChem CID119039957
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNC(=O)C(F)C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C17H13F5N2O2/c18-12-5-2-4-11(8-12)15(25)24-13-6-1-3-10(7-13)9-23-16(26)14(19)17(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25)
InChIKeyDZOBMEGFXZQDFY-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]phenyl]-3-fluorobenzamide
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N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
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CID 60893305
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
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5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
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3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
CID 87034699
3-fluoro-N-[3-[[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]methyl]phenyl]benzamide
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N-[3-[[3-[2-(difluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55893547

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide (CID 119039957) is 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide is O=C(Nc1cccc(CNC(=O)C(F)C(F)(F)F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide?
The InChIKey is DZOBMEGFXZQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c18-12-5-2-4-11(8-12)15(25)24-13-6-1-3-10(7-13)9-23-16(26)14(19)17(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25).
What are the key properties of 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide?
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide has a molecular weight of 372.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 119039957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).