2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid

C11H8ClF4NO4 — CID 602072

IUPAC2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid
SMILESCOC(F)(C(=O)Nc1cccc(Cl)c1C(=O)O)C(F)(F)F
InChIInChI=1S/C11H8ClF4NO4/c1-21-10(13,11(14,15)16)9(20)17-6-4-2-3-5(12)7(6)8(18)19/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyHRJXQUCPJJNAFT-UHFFFAOYSA-N
MW329.63 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid

2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid (PubChem CID 602072) has the molecular formula C11H8ClF4NO4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid
PubChem CID602072
Molecular FormulaC11H8ClF4NO4
Molecular Weight329.63 g/mol
Exact Mass329.01
IUPAC Name2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid
SMILESCOC(F)(C(=O)Nc1cccc(Cl)c1C(=O)O)C(F)(F)F
InChIInChI=1S/C11H8ClF4NO4/c1-21-10(13,11(14,15)16)9(20)17-6-4-2-3-5(12)7(6)8(18)19/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyHRJXQUCPJJNAFT-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 7111788
2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid
CID 7111804
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 2902173
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2,6-dichlorobenzoic acid;2,2,2-trifluoroacetic acid
CID 68862706
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid (CID 602072) is 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid is COC(F)(C(=O)Nc1cccc(Cl)c1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid?
The InChIKey is HRJXQUCPJJNAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO4/c1-21-10(13,11(14,15)16)9(20)17-6-4-2-3-5(12)7(6)8(18)19/h2-4H,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid?
2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid has a molecular weight of 329.63 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid is sourced from PubChem (CID 602072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).