2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

C19H16F3NO3 — CID 90550744

IUPAC2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
SMILESCOc1ccc(C(=O)NCC#Cc2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C19H16F3NO3/c1-25-14-9-10-15(17(12-14)26-2)18(24)23-11-5-7-13-6-3-4-8-16(13)19(20,21)22/h3-4,6,8-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyLXOCWSHPBXFUBD-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.50
Rot. Bonds4

About 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide (PubChem CID 90550744) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
PubChem CID90550744
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
SMILESCOc1ccc(C(=O)NCC#Cc2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C19H16F3NO3/c1-25-14-9-10-15(17(12-14)26-2)18(24)23-11-5-7-13-6-3-4-8-16(13)19(20,21)22/h3-4,6,8-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyLXOCWSHPBXFUBD-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553839
4-(trifluoromethoxy)-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 121123998
2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550790
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
5-bromo-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]pyridine-3-carboxamide
CID 90550702
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide (CID 90550744) is 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide is COc1ccc(C(=O)NCC#Cc2ccccc2C(F)(F)F)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
The InChIKey is LXOCWSHPBXFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-25-14-9-10-15(17(12-14)26-2)18(24)23-11-5-7-13-6-3-4-8-16(13)19(20,21)22/h3-4,6,8-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide?
2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide has a molecular weight of 363.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide is sourced from PubChem (CID 90550744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).