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

C15H11Br2NO3 — CID 63111958

IUPAC3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C15H11Br2NO3/c1-8-2-4-9(5-3-8)14(19)18-13-11(15(20)21)6-10(16)7-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRHKURTXPVRQTSK-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.47
Rot. Bonds3

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

3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 63111958) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID63111958
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C15H11Br2NO3/c1-8-2-4-9(5-3-8)14(19)18-13-11(15(20)21)6-10(16)7-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRHKURTXPVRQTSK-UHFFFAOYSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
3,5-dibromo-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid
CID 3269707
3,5-dibromo-2-[(3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 3262482
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
3,5-dibromo-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 63111891
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63111801
3,5-dibromo-2-(dimethylaminocarbamoylamino)benzoic acid
CID 83019246
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
3,5-dibromo-2-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168610511
2-(acetylcarbamothioylamino)-3,5-dibromobenzoic acid
CID 3259914

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid (CID 63111958) is 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)O)cc1.
What is the InChIKey of 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is RHKURTXPVRQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c1-8-2-4-9(5-3-8)14(19)18-13-11(15(20)21)6-10(16)7-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid?
3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 413.07 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63111958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).