3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid

C13H13Cl2NO4 — CID 79750383

IUPAC3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OCCC1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H13Cl2NO4/c1-6-8(2-3-20-6)12(17)16-11-9(13(18)19)4-7(14)5-10(11)15/h4-6,8H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyUSHIZLJIZVPOFI-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.06
Rot. Bonds3

About 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid

3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 79750383) has the molecular formula C13H13Cl2NO4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID79750383
Molecular FormulaC13H13Cl2NO4
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1OCCC1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H13Cl2NO4/c1-6-8(2-3-20-6)12(17)16-11-9(13(18)19)4-7(14)5-10(11)15/h4-6,8H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyUSHIZLJIZVPOFI-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61188726
3,5-dichloro-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 61206711
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 115410893
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
cis-(1S,2R)-2-[(2,4,6-trichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 42300958
3,5-dichloro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548806
3,5-dichloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182305
3,5-dichloro-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]benzoic acid
CID 61201944
N-(5-bromo-2-chloro-3-pyridinyl)-2-methyloxolane-3-carboxamide
CID 102979215
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid (CID 79750383) is 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid is CC1OCCC1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is USHIZLJIZVPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4/c1-6-8(2-3-20-6)12(17)16-11-9(13(18)19)4-7(14)5-10(11)15/h4-6,8H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 318.16 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 79750383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).