2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid

C14H12ClNO2 — CID 82039332

IUPAC2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid
SMILESNc1ccc(-c2ccc(CC(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-13-8-11(16)5-6-12(13)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7,16H2,(H,17,18)
InChIKeyGTHMQFSCXSBQDK-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.22
Rot. Bonds3

About 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid

2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid (PubChem CID 82039332) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid
PubChem CID82039332
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid
SMILESNc1ccc(-c2ccc(CC(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-13-8-11(16)5-6-12(13)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7,16H2,(H,17,18)
InChIKeyGTHMQFSCXSBQDK-UHFFFAOYSA-N
XLogP3.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
2-[4-[(5-amino-2-chlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 105345252
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
2-[4-[[[3-chloro-4-(4-phenoxyphenyl)phenyl]methyl-sulfinoamino]methyl]phenyl]acetic acid
CID 68618654
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid (CID 82039332) is 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid is Nc1ccc(-c2ccc(CC(=O)O)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid?
The InChIKey is GTHMQFSCXSBQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13-8-11(16)5-6-12(13)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7,16H2,(H,17,18).
What are the key properties of 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid?
2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid has a molecular weight of 261.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 82039332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).