2,4,5-trifluoro-N-heptyl-3-methoxybenzamide

C15H20F3NO2 — CID 91730409

IUPAC2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
SMILESCCCCCCCNC(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C15H20F3NO2/c1-3-4-5-6-7-8-19-15(20)10-9-11(16)13(18)14(21-2)12(10)17/h9H,3-8H2,1-2H3,(H,19,20)
InChIKeyGFDOCSFZTCLEFI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.81
Rot. Bonds8

About 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide

2,4,5-trifluoro-N-heptyl-3-methoxybenzamide (PubChem CID 91730409) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
PubChem CID91730409
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
SMILESCCCCCCCNC(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C15H20F3NO2/c1-3-4-5-6-7-8-19-15(20)10-9-11(16)13(18)14(21-2)12(10)17/h9H,3-8H2,1-2H3,(H,19,20)
InChIKeyGFDOCSFZTCLEFI-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide?
The IUPAC name of 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide (CID 91730409) is 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide?
The canonical SMILES for 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide is CCCCCCCNC(=O)c1cc(F)c(F)c(OC)c1F.
What is the InChIKey of 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide?
The InChIKey is GFDOCSFZTCLEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-3-4-5-6-7-8-19-15(20)10-9-11(16)13(18)14(21-2)12(10)17/h9H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide?
2,4,5-trifluoro-N-heptyl-3-methoxybenzamide has a molecular weight of 303.32 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-heptyl-3-methoxybenzamide is sourced from PubChem (CID 91730409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).