2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid

C22H16Cl3NO4 — CID 59219274

IUPAC2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl3NO4/c1-30-20-7-3-12(13-2-6-18(24)17(9-13)22(28)29)8-14(20)11-26-21(27)16-5-4-15(23)10-19(16)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyPCCOBWBFTYGELV-UHFFFAOYSA-N
MW464.73 g/mol
LogP5.95
Rot. Bonds6

About 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid

2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid (PubChem CID 59219274) has the molecular formula C22H16Cl3NO4 and a molecular weight of 464.73 g/mol. Its IUPAC name is 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
PubChem CID59219274
Molecular FormulaC22H16Cl3NO4
Molecular Weight464.73 g/mol
Exact Mass463.01
IUPAC Name2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl3NO4/c1-30-20-7-3-12(13-2-6-18(24)17(9-13)22(28)29)8-14(20)11-26-21(27)16-5-4-15(23)10-19(16)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyPCCOBWBFTYGELV-UHFFFAOYSA-N
XLogP5.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid with MolForge

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Related Compounds

3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219006
5-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-methoxybenzoic acid
CID 59219194
3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
CID 59219280
2-[[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]methylidene]butanoic acid
CID 68634431
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092722
3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-propoxyphenyl]-5-fluorobenzoic acid
CID 59219172
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538
4-[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-methoxyphenyl]thiophene-2-carboxylic acid
CID 59219070
3-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid?
The IUPAC name of 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid (CID 59219274) is 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid is COc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid?
The InChIKey is PCCOBWBFTYGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3NO4/c1-30-20-7-3-12(13-2-6-18(24)17(9-13)22(28)29)8-14(20)11-26-21(27)16-5-4-15(23)10-19(16)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid?
2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid has a molecular weight of 464.73 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid is sourced from PubChem (CID 59219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).