4-(3-bromo-4-methylanilino)-3-methylbenzoic acid

C15H14BrNO2 — CID 63537209

IUPAC4-(3-bromo-4-methylanilino)-3-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2C)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-9-3-5-12(8-13(9)16)17-14-6-4-11(15(18)19)7-10(14)2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyRCSQIFXYARRZOS-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.51
Rot. Bonds3

About 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid

4-(3-bromo-4-methylanilino)-3-methylbenzoic acid (PubChem CID 63537209) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(3-bromo-4-methylanilino)-3-methylbenzoic acid
PubChem CID63537209
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-(3-bromo-4-methylanilino)-3-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2C)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-9-3-5-12(8-13(9)16)17-14-6-4-11(15(18)19)7-10(14)2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyRCSQIFXYARRZOS-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
4-(4-cyanoanilino)-3-methylbenzoic acid
CID 63212717
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
2-amino-3-(3-bromo-4-methylanilino)benzoic acid
CID 113332977
4-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 82785938
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
4-(3-ethynylanilino)-3-methylbenzoic acid
CID 63212246
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
4-(5-bromo-2-iodoanilino)-3-methylbenzoic acid
CID 114260464
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid?
The IUPAC name of 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid (CID 63537209) is 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid.
What is the SMILES notation for 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid?
The canonical SMILES for 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid is Cc1ccc(Nc2ccc(C(=O)O)cc2C)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid?
The InChIKey is RCSQIFXYARRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-3-5-12(8-13(9)16)17-14-6-4-11(15(18)19)7-10(14)2/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid?
4-(3-bromo-4-methylanilino)-3-methylbenzoic acid has a molecular weight of 320.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylanilino)-3-methylbenzoic acid is sourced from PubChem (CID 63537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).