5-chloro-2-(3-ethoxyanilino)benzoic acid

C15H14ClNO3 — CID 63538185

IUPAC5-chloro-2-(3-ethoxyanilino)benzoic acid
SMILESCCOc1cccc(Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C15H14ClNO3/c1-2-20-12-5-3-4-11(9-12)17-14-7-6-10(16)8-13(14)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyOOJLBGADOLOKEV-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-2-(3-ethoxyanilino)benzoic acid

5-chloro-2-(3-ethoxyanilino)benzoic acid (PubChem CID 63538185) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-chloro-2-(3-ethoxyanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(3-ethoxyanilino)benzoic acid
PubChem CID63538185
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-chloro-2-(3-ethoxyanilino)benzoic acid
SMILESCCOc1cccc(Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C15H14ClNO3/c1-2-20-12-5-3-4-11(9-12)17-14-7-6-10(16)8-13(14)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyOOJLBGADOLOKEV-UHFFFAOYSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509
5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
CID 155452555
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2-(3-propoxyanilino)benzoic acid
CID 154130973
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
CID 63528499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethoxyanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(3-ethoxyanilino)benzoic acid (CID 63538185) is 5-chloro-2-(3-ethoxyanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(3-ethoxyanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(3-ethoxyanilino)benzoic acid is CCOc1cccc(Nc2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-(3-ethoxyanilino)benzoic acid?
The InChIKey is OOJLBGADOLOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-20-12-5-3-4-11(9-12)17-14-7-6-10(16)8-13(14)15(18)19/h3-9,17H,2H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-(3-ethoxyanilino)benzoic acid?
5-chloro-2-(3-ethoxyanilino)benzoic acid has a molecular weight of 291.73 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethoxyanilino)benzoic acid is sourced from PubChem (CID 63538185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).