2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid

C16H11F4NO4 — CID 88887347

IUPAC2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid
SMILESCOc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)ccc1C
InChIInChI=1S/C16H11F4NO4/c1-6-3-4-7(5-8(6)25-2)21-15(22)9-10(16(23)24)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNMPVRAAAJYDKBU-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.51
Rot. Bonds4

About 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid

2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid (PubChem CID 88887347) has the molecular formula C16H11F4NO4 and a molecular weight of 357.26 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid
PubChem CID88887347
Molecular FormulaC16H11F4NO4
Molecular Weight357.26 g/mol
Exact Mass357.06
IUPAC Name2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid
SMILESCOc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)ccc1C
InChIInChI=1S/C16H11F4NO4/c1-6-3-4-7(5-8(6)25-2)21-15(22)9-10(16(23)24)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3,(H,21,22)(H,23,24)
InChIKeyNMPVRAAAJYDKBU-UHFFFAOYSA-N
XLogP3.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid (CID 88887347) is 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid is COc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)ccc1C.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is NMPVRAAAJYDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO4/c1-6-3-4-7(5-8(6)25-2)21-15(22)9-10(16(23)24)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid?
2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid has a molecular weight of 357.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 88887347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).