2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

C16H11ClF4N2O2 — CID 108934234

IUPAC2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClF4N2O2/c17-10-5-3-6-11(18)13(10)14(24)22-8-9-4-1-2-7-12(9)23-15(25)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyNPMCTJSVJYJKMC-UHFFFAOYSA-N
MW374.72 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108934234) has the molecular formula C16H11ClF4N2O2 and a molecular weight of 374.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108934234
Molecular FormulaC16H11ClF4N2O2
Molecular Weight374.72 g/mol
Exact Mass374.04
IUPAC Name2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClF4N2O2/c17-10-5-3-6-11(18)13(10)14(24)22-8-9-4-1-2-7-12(9)23-15(25)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyNPMCTJSVJYJKMC-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.72
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
[4-[[2-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931734
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide
CID 135051238
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108934234) is 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is NPMCTJSVJYJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N2O2/c17-10-5-3-6-11(18)13(10)14(24)22-8-9-4-1-2-7-12(9)23-15(25)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 374.72 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108934234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).