N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide

C26H23F3N2O3 — CID 46565897

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H23F3N2O3/c1-31(16-17-8-10-18(11-9-17)24(32)30-21-12-13-21)25(33)19-4-2-6-22(14-19)34-23-7-3-5-20(15-23)26(27,28)29/h2-11,14-15,21H,12-13,16H2,1H3,(H,30,32)
InChIKeyGCKTVDUXRLHYRF-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.66
Rot. Bonds7

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 46565897) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID46565897
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H23F3N2O3/c1-31(16-17-8-10-18(11-9-17)24(32)30-21-12-13-21)25(33)19-4-2-6-22(14-19)34-23-7-3-5-20(15-23)26(27,28)29/h2-11,14-15,21H,12-13,16H2,1H3,(H,30,32)
InChIKeyGCKTVDUXRLHYRF-UHFFFAOYSA-N
XLogP5.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
CID 87006539

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide (CID 46565897) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is GCKTVDUXRLHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-31(16-17-8-10-18(11-9-17)24(32)30-21-12-13-21)25(33)19-4-2-6-22(14-19)34-23-7-3-5-20(15-23)26(27,28)29/h2-11,14-15,21H,12-13,16H2,1H3,(H,30,32).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 468.48 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 46565897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).