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

C15H14ClNO2 — CID 5019661

IUPAC2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-14-4-2-1-3-12(14)10-17-13-7-5-11(6-8-13)9-15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyVXRROBCBHWAZEM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.58
Rot. Bonds5

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

2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid (PubChem CID 5019661) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid
PubChem CID5019661
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-14-4-2-1-3-12(14)10-17-13-7-5-11(6-8-13)9-15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyVXRROBCBHWAZEM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid (CID 5019661) is 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid?
The InChIKey is VXRROBCBHWAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-14-4-2-1-3-12(14)10-17-13-7-5-11(6-8-13)9-15(18)19/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid?
2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid has a molecular weight of 275.74 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methylamino]phenyl]acetic acid is sourced from PubChem (CID 5019661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).