2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide

C15H12ClF3N2O2 — CID 143074005

IUPAC2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
SMILESCc1ccc(Nc2c(C(=O)NOCF)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-8-2-5-12(10(16)6-8)20-14-9(15(22)21-23-7-17)3-4-11(18)13(14)19/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyJQUTZKMYNWYMNV-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide

2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide (PubChem CID 143074005) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
PubChem CID143074005
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
SMILESCc1ccc(Nc2c(C(=O)NOCF)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c1-8-2-5-12(10(16)6-8)20-14-9(15(22)21-23-7-17)3-4-11(18)13(14)19/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyJQUTZKMYNWYMNV-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 10228574
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxypentoxy)benzamide
CID 22286452
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 164903450
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide
CID 22286229
(2,3,4,5,6-pentafluorophenyl) 2-(2,4-dimethylanilino)-3,4-difluorobenzoate
CID 142108958

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide (CID 143074005) is 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide is Cc1ccc(Nc2c(C(=O)NOCF)ccc(F)c2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide?
The InChIKey is JQUTZKMYNWYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-8-2-5-12(10(16)6-8)20-14-9(15(22)21-23-7-17)3-4-11(18)13(14)19/h2-6,20H,7H2,1H3,(H,21,22).
What are the key properties of 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide?
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide has a molecular weight of 344.72 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide is sourced from PubChem (CID 143074005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).