3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide

C16H17BrN2O2 — CID 61092321

IUPAC3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)12-4-7-14(17)15(18)10-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBEYHXYYKQHYTCO-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.01
Rot. Bonds5

About 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide

3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 61092321) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID61092321
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)12-4-7-14(17)15(18)10-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBEYHXYYKQHYTCO-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
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

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 61092321) is 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(Br)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is BEYHXYYKQHYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)12-4-7-14(17)15(18)10-12/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 61092321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).