3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide

C16H14BrN3O2 — CID 149003619

IUPAC3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
SMILESCc1cc2c(cc1Br)N=C(Nc1cccc(C(=O)NO)c1)C2
InChIInChI=1S/C16H14BrN3O2/c1-9-5-11-7-15(19-14(11)8-13(9)17)18-12-4-2-3-10(6-12)16(21)20-22/h2-6,8,22H,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyQADLKYJUXHTHGH-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.57
Rot. Bonds2

About 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide

3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide (PubChem CID 149003619) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
PubChem CID149003619
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
SMILESCc1cc2c(cc1Br)N=C(Nc1cccc(C(=O)NO)c1)C2
InChIInChI=1S/C16H14BrN3O2/c1-9-5-11-7-15(19-14(11)8-13(9)17)18-12-4-2-3-10(6-12)16(21)20-22/h2-6,8,22H,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyQADLKYJUXHTHGH-UHFFFAOYSA-N
XLogP3.57
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 160785610
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 157203662
N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 157139900
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide
CID 90305974
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
CID 55882970
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
CID 17204543
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide?
The IUPAC name of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide (CID 149003619) is 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide is Cc1cc2c(cc1Br)N=C(Nc1cccc(C(=O)NO)c1)C2.
What is the InChIKey of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide?
The InChIKey is QADLKYJUXHTHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-9-5-11-7-15(19-14(11)8-13(9)17)18-12-4-2-3-10(6-12)16(21)20-22/h2-6,8,22H,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide?
3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide has a molecular weight of 360.21 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 149003619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).