3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide

C17H15F3N2O3 — CID 46699470

IUPAC3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)10-25-9-11-4-6-12(7-5-11)16(24)22-14-3-1-2-13(8-14)15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyBOIJTXZVWJVHSL-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.12
Rot. Bonds6

About 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide

3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide (PubChem CID 46699470) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
PubChem CID46699470
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)10-25-9-11-4-6-12(7-5-11)16(24)22-14-3-1-2-13(8-14)15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyBOIJTXZVWJVHSL-UHFFFAOYSA-N
XLogP3.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46803189
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 46261955
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide (CID 46699470) is 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
The InChIKey is BOIJTXZVWJVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)10-25-9-11-4-6-12(7-5-11)16(24)22-14-3-1-2-13(8-14)15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24).
What are the key properties of 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide?
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide has a molecular weight of 352.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 46699470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).