2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid

C14H6Br2Cl2INO3 — CID 43866230

IUPAC2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)cc(Br)c2I)c(Cl)cc1Cl
InChIInChI=1S/C14H6Br2Cl2INO3/c15-5-1-7(12(19)8(16)2-5)13(21)20-11-3-6(14(22)23)9(17)4-10(11)18/h1-4H,(H,20,21)(H,22,23)
InChIKeyMQIQZWYGHLCAHI-UHFFFAOYSA-N
MW593.82 g/mol
LogP6.07
Rot. Bonds3

About 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid

2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid (PubChem CID 43866230) has the molecular formula C14H6Br2Cl2INO3 and a molecular weight of 593.82 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid
PubChem CID43866230
Molecular FormulaC14H6Br2Cl2INO3
Molecular Weight593.82 g/mol
Exact Mass590.71
IUPAC Name2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)cc(Br)c2I)c(Cl)cc1Cl
InChIInChI=1S/C14H6Br2Cl2INO3/c15-5-1-7(12(19)8(16)2-5)13(21)20-11-3-6(14(22)23)9(17)4-10(11)18/h1-4H,(H,20,21)(H,22,23)
InChIKeyMQIQZWYGHLCAHI-UHFFFAOYSA-N
XLogP6.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.82
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(2-bromophenyl)-2-iodobenzamide
CID 3465386
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824
2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid
CID 28671927
3,5-dibromo-2-iodo-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 3949777
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
3,5-dibromo-2-iodo-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4508199

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid (CID 43866230) is 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2cc(Br)cc(Br)c2I)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid?
The InChIKey is MQIQZWYGHLCAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2Cl2INO3/c15-5-1-7(12(19)8(16)2-5)13(21)20-11-3-6(14(22)23)9(17)4-10(11)18/h1-4H,(H,20,21)(H,22,23).
What are the key properties of 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid?
2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid has a molecular weight of 593.82 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3,5-dibromo-2-iodobenzoyl)amino]benzoic acid is sourced from PubChem (CID 43866230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).