4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide

C18H17F3N2O4 — CID 146422502

IUPAC4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C18H17F3N2O4/c1-27-15-8-12(4-7-14(15)24)17(26)23-10-16(25)22-9-11-2-5-13(6-3-11)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyIPMGMDUUEFRBAA-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.47
Rot. Bonds6

About 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide

4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 146422502) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID146422502
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C18H17F3N2O4/c1-27-15-8-12(4-7-14(15)24)17(26)23-10-16(25)22-9-11-2-5-13(6-3-11)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyIPMGMDUUEFRBAA-UHFFFAOYSA-N
XLogP2.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17478378
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide (CID 146422502) is 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is IPMGMDUUEFRBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-27-15-8-12(4-7-14(15)24)17(26)23-10-16(25)22-9-11-2-5-13(6-3-11)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide?
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 382.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 146422502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).