4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid

C17H15Cl2NO4 — CID 51035073

IUPAC4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-7-24-15-13(18)8-11(9-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyIAJYGLWDIJOHTK-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.73
Rot. Bonds6

About 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid

4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid (PubChem CID 51035073) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid
PubChem CID51035073
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-7-24-15-13(18)8-11(9-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyIAJYGLWDIJOHTK-UHFFFAOYSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid (CID 51035073) is 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid is CCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl.
What is the InChIKey of 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid?
The InChIKey is IAJYGLWDIJOHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-2-7-24-15-13(18)8-11(9-14(15)19)16(21)20-12-5-3-10(4-6-12)17(22)23/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid?
4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-propoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 51035073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).