5-chloro-2-(2-phenylethylamino)benzoic acid

C15H14ClNO2 — CID 24749457

IUPAC5-chloro-2-(2-phenylethylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NCCc1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-12-6-7-14(13(10-12)15(18)19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDVSCRJKCFLRYCW-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-2-(2-phenylethylamino)benzoic acid

5-chloro-2-(2-phenylethylamino)benzoic acid (PubChem CID 24749457) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-(2-phenylethylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-phenylethylamino)benzoic acid
PubChem CID24749457
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name5-chloro-2-(2-phenylethylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NCCc1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-12-6-7-14(13(10-12)15(18)19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDVSCRJKCFLRYCW-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-phenylethylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-phenylethylamino)benzoic acid (CID 24749457) is 5-chloro-2-(2-phenylethylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-phenylethylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-phenylethylamino)benzoic acid is O=C(O)c1cc(Cl)ccc1NCCc1ccccc1.
What is the InChIKey of 5-chloro-2-(2-phenylethylamino)benzoic acid?
The InChIKey is DVSCRJKCFLRYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-12-6-7-14(13(10-12)15(18)19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 5-chloro-2-(2-phenylethylamino)benzoic acid?
5-chloro-2-(2-phenylethylamino)benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-phenylethylamino)benzoic acid is sourced from PubChem (CID 24749457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).