2-[1-(2-chlorophenyl)ethylamino]benzoic acid

C15H14ClNO2 — CID 43322123

IUPAC2-[1-(2-chlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10(11-6-2-4-8-13(11)16)17-14-9-5-3-7-12(14)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyDGZSNCXLQPNIJW-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.21
Rot. Bonds4

About 2-[1-(2-chlorophenyl)ethylamino]benzoic acid

2-[1-(2-chlorophenyl)ethylamino]benzoic acid (PubChem CID 43322123) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]benzoic acid
PubChem CID43322123
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10(11-6-2-4-8-13(11)16)17-14-9-5-3-7-12(14)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyDGZSNCXLQPNIJW-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
2-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43139536
methyl 3-[1-(2-chlorophenyl)ethylamino]-2-methylbenzoate
CID 43714429
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 62711356
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]benzoic acid (CID 43322123) is 2-[1-(2-chlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]benzoic acid is CC(Nc1ccccc1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]benzoic acid?
The InChIKey is DGZSNCXLQPNIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10(11-6-2-4-8-13(11)16)17-14-9-5-3-7-12(14)15(18)19/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]benzoic acid?
2-[1-(2-chlorophenyl)ethylamino]benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).