4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide

C14H13BrN2O2 — CID 107734400

IUPAC4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-13(16)12(15)8-9/h2-8,18H,16H2,1H3
InChIKeySMQLYWQMTBOWDQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.01
Rot. Bonds2

About 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide

4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107734400) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
PubChem CID107734400
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C14H13BrN2O2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-13(16)12(15)8-9/h2-8,18H,16H2,1H3
InChIKeySMQLYWQMTBOWDQ-UHFFFAOYSA-N
XLogP3.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
N-(4-hydroxyphenyl)-3-iodo-N-methylbenzamide
CID 28887982
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739035

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide (CID 107734400) is 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccc(N)c(Br)c1)c1ccc(O)cc1.
What is the InChIKey of 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is SMQLYWQMTBOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-13(16)12(15)8-9/h2-8,18H,16H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107734400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).