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

C17H15F4N3O2 — CID 47066077

IUPAC4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)NCC(F)(F)F
InChIInChI=1S/C17H15F4N3O2/c18-13-6-4-12(5-7-13)15(25)24-14-3-1-2-11(8-14)9-22-16(26)23-10-17(19,20)21/h1-8H,9-10H2,(H,24,25)(H2,22,23,26)
InChIKeyKTHXDAJESFLOSU-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.44
Rot. Bonds5

About 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide

4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide (PubChem CID 47066077) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
PubChem CID47066077
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)NCC(F)(F)F
InChIInChI=1S/C17H15F4N3O2/c18-13-6-4-12(5-7-13)15(25)24-14-3-1-2-11(8-14)9-22-16(26)23-10-17(19,20)21/h1-8H,9-10H2,(H,24,25)(H2,22,23,26)
InChIKeyKTHXDAJESFLOSU-UHFFFAOYSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
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4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
CID 133371592
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CID 119741551
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
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CID 60535638
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide (CID 47066077) is 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide is O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)NCC(F)(F)F.
What is the InChIKey of 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide?
The InChIKey is KTHXDAJESFLOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c18-13-6-4-12(5-7-13)15(25)24-14-3-1-2-11(8-14)9-22-16(26)23-10-17(19,20)21/h1-8H,9-10H2,(H,24,25)(H2,22,23,26).
What are the key properties of 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide?
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide has a molecular weight of 369.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 47066077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).