3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C17H15F3N2O3 — CID 17403034

IUPAC3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c1-11(23)22-14-4-2-3-13(9-14)16(24)21-10-12-5-7-15(8-6-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyCKJQNMQOFKCCLS-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.47
Rot. Bonds5

About 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 17403034) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID17403034
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c1-11(23)22-14-4-2-3-13(9-14)16(24)21-10-12-5-7-15(8-6-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyCKJQNMQOFKCCLS-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24672381
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 17403034) is 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is CKJQNMQOFKCCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-11(23)22-14-4-2-3-13(9-14)16(24)21-10-12-5-7-15(8-6-12)25-17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 352.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 17403034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).