3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide

C16H17BrN2O2 — CID 60938045

IUPAC3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-19(16(20)11-4-3-5-14(18)9-11)10-12-8-13(17)6-7-15(12)21-2/h3-9H,10,18H2,1-2H3
InChIKeyRMZFAKZBIRIPPI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 60938045) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID60938045
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-19(16(20)11-4-3-5-14(18)9-11)10-12-8-13(17)6-7-15(12)21-2/h3-9H,10,18H2,1-2H3
InChIKeyRMZFAKZBIRIPPI-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide (CID 60938045) is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(Br)cc1CN(C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is RMZFAKZBIRIPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-19(16(20)11-4-3-5-14(18)9-11)10-12-8-13(17)6-7-15(12)21-2/h3-9H,10,18H2,1-2H3.
What are the key properties of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide?
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60938045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).