2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid

C16H16ClNO3 — CID 43736310

IUPAC2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,1-2H3,(H,19,20)
InChIKeyFWMOAUYCZHELFO-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.22
Rot. Bonds5

About 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid

2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid (PubChem CID 43736310) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
PubChem CID43736310
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
SMILESCOc1ccc(C(C)Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,1-2H3,(H,19,20)
InChIKeyFWMOAUYCZHELFO-UHFFFAOYSA-N
XLogP4.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
methyl 2-chloro-5-[1-(4-iodophenyl)ethylamino]benzoate
CID 43778955
2-chloro-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 62945610
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 110453014
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid (CID 43736310) is 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid is COc1ccc(C(C)Nc2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
The InChIKey is FWMOAUYCZHELFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-12-5-8-15(17)14(9-12)16(19)20/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid?
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid has a molecular weight of 305.76 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43736310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).