N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide

C19H16F6N2O3 — CID 52764158

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F6N2O3/c1-30-15-4-2-11(3-5-15)9-26-16(28)10-27-17(29)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyMLRAPKSPUKPWNZ-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.78
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 52764158) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID52764158
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F6N2O3/c1-30-15-4-2-11(3-5-15)9-26-16(28)10-27-17(29)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyMLRAPKSPUKPWNZ-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 122144197

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide (CID 52764158) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide is COc1ccc(CNC(=O)CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MLRAPKSPUKPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c1-30-15-4-2-11(3-5-15)9-26-16(28)10-27-17(29)12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 434.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 52764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).