2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid

C10H9Cl2NO4 — CID 43354480

IUPAC2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
SMILESCOc1c(Cl)cc(C(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyQNJAPKOYHKEUIG-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.82
Rot. Bonds4

About 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid

2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid (PubChem CID 43354480) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
PubChem CID43354480
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
SMILESCOc1c(Cl)cc(C(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyQNJAPKOYHKEUIG-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
CID 63912530
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246199

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid (CID 43354480) is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid is COc1c(Cl)cc(C(=O)NCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid?
The InChIKey is QNJAPKOYHKEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-17-9-6(11)2-5(3-7(9)12)10(16)13-4-8(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid?
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid has a molecular weight of 278.09 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 43354480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).