4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid

C19H14ClNO3 — CID 2975908

IUPAC4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H14ClNO3/c20-14-8-9-16(19(23)24)17(11-14)21-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,21,22)(H,23,24)
InChIKeyRUCCAGJXGOZENH-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.37
Rot. Bonds4

About 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid

4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid (PubChem CID 2975908) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid
PubChem CID2975908
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H14ClNO3/c20-14-8-9-16(19(23)24)17(11-14)21-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,21,22)(H,23,24)
InChIKeyRUCCAGJXGOZENH-UHFFFAOYSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid (CID 2975908) is 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid is O=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid?
The InChIKey is RUCCAGJXGOZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-14-8-9-16(19(23)24)17(11-14)21-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,21,22)(H,23,24).
What are the key properties of 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid?
4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid has a molecular weight of 339.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-naphthalen-1-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 2975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).