2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid

C10H9Cl2NO3 — CID 21179586

IUPAC2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid
SMILESCc1cc(Cl)c(C(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-5-2-8(12)6(3-7(5)11)10(16)13-4-9(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyCGNMJHDLDHWANY-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.12
Rot. Bonds3

About 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid

2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid (PubChem CID 21179586) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid
PubChem CID21179586
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid
SMILESCc1cc(Cl)c(C(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-5-2-8(12)6(3-7(5)11)10(16)13-4-9(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyCGNMJHDLDHWANY-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid (CID 21179586) is 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid is Cc1cc(Cl)c(C(=O)NCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid?
The InChIKey is CGNMJHDLDHWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-5-2-8(12)6(3-7(5)11)10(16)13-4-9(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid?
2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid has a molecular weight of 262.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-4-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 21179586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).