3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide

C14H13BrN2O2 — CID 107872490

IUPAC3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-12(5-9(15)6-13(8)16)14(19)17-10-3-2-4-11(18)7-10/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyPCFCSDNSMXDFNM-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.30
Rot. Bonds2

About 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide

3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide (PubChem CID 107872490) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
PubChem CID107872490
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-12(5-9(15)6-13(8)16)14(19)17-10-3-2-4-11(18)7-10/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyPCFCSDNSMXDFNM-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide (CID 107872490) is 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is PCFCSDNSMXDFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-12(5-9(15)6-13(8)16)14(19)17-10-3-2-4-11(18)7-10/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 107872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).