4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid

C16H14ClNO5 — CID 10783044

IUPAC4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid
SMILESCOCC(=O)N(c1ccccc1O)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H14ClNO5/c1-23-9-15(20)18(12-4-2-3-5-14(12)19)13-8-10(17)6-7-11(13)16(21)22/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyXCVDDIBJSZAUIT-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.05
Rot. Bonds5

About 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid

4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid (PubChem CID 10783044) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid
PubChem CID10783044
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid
SMILESCOCC(=O)N(c1ccccc1O)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H14ClNO5/c1-23-9-15(20)18(12-4-2-3-5-14(12)19)13-8-10(17)6-7-11(13)16(21)22/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyXCVDDIBJSZAUIT-UHFFFAOYSA-N
XLogP3.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid
CID 67462005
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
2-[bis(3-methylbutyl)amino]-4-chlorobenzoic acid
CID 107870293
3-(2,4-dichloro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 95534698
1-(2-benzoylphenyl)-1-(5-chloro-2-hydroxyphenyl)urea
CID 139704351
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid?
The IUPAC name of 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid (CID 10783044) is 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid is COCC(=O)N(c1ccccc1O)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid?
The InChIKey is XCVDDIBJSZAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-23-9-15(20)18(12-4-2-3-5-14(12)19)13-8-10(17)6-7-11(13)16(21)22/h2-8,19H,9H2,1H3,(H,21,22).
What are the key properties of 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid?
4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid has a molecular weight of 335.74 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxy-N-(2-methoxyacetyl)anilino)benzoic acid is sourced from PubChem (CID 10783044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).