N,2,3,4-tetrafluorobenzamide

C7H3F4NO — CID 91055455

IUPACN,2,3,4-tetrafluorobenzamide
SMILESO=C(NF)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F4NO/c8-4-2-1-3(7(13)12-11)5(9)6(4)10/h1-2H,(H,12,13)
InChIKeyRTDJNDIYQRQMKI-UHFFFAOYSA-N
MW193.10 g/mol
LogP1.72
Rot. Bonds1

About N,2,3,4-tetrafluorobenzamide

N,2,3,4-tetrafluorobenzamide (PubChem CID 91055455) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is N,2,3,4-tetrafluorobenzamide.

Molecular Properties

Compound NameN,2,3,4-tetrafluorobenzamide
PubChem CID91055455
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC NameN,2,3,4-tetrafluorobenzamide
SMILESO=C(NF)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F4NO/c8-4-2-1-3(7(13)12-11)5(9)6(4)10/h1-2H,(H,12,13)
InChIKeyRTDJNDIYQRQMKI-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382

Frequently Asked Questions

What is the IUPAC name of N,2,3,4-tetrafluorobenzamide?
The IUPAC name of N,2,3,4-tetrafluorobenzamide (CID 91055455) is N,2,3,4-tetrafluorobenzamide.
What is the SMILES notation for N,2,3,4-tetrafluorobenzamide?
The canonical SMILES for N,2,3,4-tetrafluorobenzamide is O=C(NF)c1ccc(F)c(F)c1F.
What is the InChIKey of N,2,3,4-tetrafluorobenzamide?
The InChIKey is RTDJNDIYQRQMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-4-2-1-3(7(13)12-11)5(9)6(4)10/h1-2H,(H,12,13).
What are the key properties of N,2,3,4-tetrafluorobenzamide?
N,2,3,4-tetrafluorobenzamide has a molecular weight of 193.10 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4-tetrafluorobenzamide is sourced from PubChem (CID 91055455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).