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

C18H16F4N2O2 — CID 39997798

IUPAC3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F4N2O2/c1-24(17(26)14-3-2-4-15(19)9-14)10-12-5-7-13(8-6-12)16(25)23-11-18(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyODLPAJLNBKNNLN-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.39
Rot. Bonds5

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

3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 39997798) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID39997798
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F4N2O2/c1-24(17(26)14-3-2-4-15(19)9-14)10-12-5-7-13(8-6-12)16(25)23-11-18(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyODLPAJLNBKNNLN-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 38456028
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806953
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30806385

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide (CID 39997798) is 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is ODLPAJLNBKNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-24(17(26)14-3-2-4-15(19)9-14)10-12-5-7-13(8-6-12)16(25)23-11-18(20,21)22/h2-9H,10-11H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide?
3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 368.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39997798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).