2-anilino-3-chloronaphthalene-1-carboxylic acid

C17H12ClNO2 — CID 57143139

IUPAC2-anilino-3-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Nc2ccccc2)c(Cl)cc2ccccc12
InChIInChI=1S/C17H12ClNO2/c18-14-10-11-6-4-5-9-13(11)15(17(20)21)16(14)19-12-7-2-1-3-8-12/h1-10,19H,(H,20,21)
InChIKeyCIEGLTWPHOJLKF-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.93
Rot. Bonds3

About 2-anilino-3-chloronaphthalene-1-carboxylic acid

2-anilino-3-chloronaphthalene-1-carboxylic acid (PubChem CID 57143139) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-anilino-3-chloronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-anilino-3-chloronaphthalene-1-carboxylic acid
PubChem CID57143139
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-anilino-3-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Nc2ccccc2)c(Cl)cc2ccccc12
InChIInChI=1S/C17H12ClNO2/c18-14-10-11-6-4-5-9-13(11)15(17(20)21)16(14)19-12-7-2-1-3-8-12/h1-10,19H,(H,20,21)
InChIKeyCIEGLTWPHOJLKF-UHFFFAOYSA-N
XLogP4.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-chloronaphthalene-1-carboxylic acid?
The IUPAC name of 2-anilino-3-chloronaphthalene-1-carboxylic acid (CID 57143139) is 2-anilino-3-chloronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-anilino-3-chloronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-anilino-3-chloronaphthalene-1-carboxylic acid is O=C(O)c1c(Nc2ccccc2)c(Cl)cc2ccccc12.
What is the InChIKey of 2-anilino-3-chloronaphthalene-1-carboxylic acid?
The InChIKey is CIEGLTWPHOJLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-10-11-6-4-5-9-13(11)15(17(20)21)16(14)19-12-7-2-1-3-8-12/h1-10,19H,(H,20,21).
What are the key properties of 2-anilino-3-chloronaphthalene-1-carboxylic acid?
2-anilino-3-chloronaphthalene-1-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-chloronaphthalene-1-carboxylic acid is sourced from PubChem (CID 57143139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).