3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid

C14H8BrCl2NO3 — CID 63112414

IUPAC3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cccc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-10-3-1-2-9(14(20)21)12(10)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyMQCYIHQXKBVQQU-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid

3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid (PubChem CID 63112414) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
PubChem CID63112414
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cccc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2NO3/c15-10-3-1-2-9(14(20)21)12(10)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyMQCYIHQXKBVQQU-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
CID 63113012
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-bromo-2-[(4-chlorophenyl)carbamoylamino]benzoic acid
CID 63112769
3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
CID 107721654
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
CID 63112855
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid (CID 63112414) is 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid is O=C(Nc1c(Br)cccc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid?
The InChIKey is MQCYIHQXKBVQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-10-3-1-2-9(14(20)21)12(10)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid?
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid has a molecular weight of 389.03 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63112414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).