4-propoxy-N-(2,3,4-trifluorophenyl)benzamide

C16H14F3NO2 — CID 9095277

IUPAC4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H14F3NO2/c1-2-9-22-11-5-3-10(4-6-11)16(21)20-13-8-7-12(17)14(18)15(13)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyQCPANVGXSFSHGM-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.14
Rot. Bonds5

About 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide

4-propoxy-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 9095277) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID9095277
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H14F3NO2/c1-2-9-22-11-5-3-10(4-6-11)16(21)20-13-8-7-12(17)14(18)15(13)19/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyQCPANVGXSFSHGM-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-propoxybenzoate
CID 7211777
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide (CID 9095277) is 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide is CCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is QCPANVGXSFSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-2-9-22-11-5-3-10(4-6-11)16(21)20-13-8-7-12(17)14(18)15(13)19/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 309.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 9095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).