N-(5-amino-2-methoxyphenyl)-3-bromobenzamide

C14H13BrN2O2 — CID 24699431

IUPACN-(5-amino-2-methoxyphenyl)-3-bromobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-6-5-11(16)8-12(13)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLWDUDZWBXGLCCD-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.29
Rot. Bonds3

About N-(5-amino-2-methoxyphenyl)-3-bromobenzamide

N-(5-amino-2-methoxyphenyl)-3-bromobenzamide (PubChem CID 24699431) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-bromobenzamide
PubChem CID24699431
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-bromobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-6-5-11(16)8-12(13)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLWDUDZWBXGLCCD-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.29
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

N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-bromobenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-bromobenzamide (CID 24699431) is N-(5-amino-2-methoxyphenyl)-3-bromobenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-bromobenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-bromobenzamide is COc1ccc(N)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-bromobenzamide?
The InChIKey is LWDUDZWBXGLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-6-5-11(16)8-12(13)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-bromobenzamide?
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3-bromobenzamide is sourced from PubChem (CID 24699431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).