3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide

C16H17BrN2O2 — CID 82990987

IUPAC3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2Br)c(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-19-16(20)11-7-8-15(14(18)9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyHJVFZAXLTSCRIG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.36
Rot. Bonds5

About 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide

3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide (PubChem CID 82990987) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
PubChem CID82990987
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2Br)c(N)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-19-16(20)11-7-8-15(14(18)9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyHJVFZAXLTSCRIG-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807
3-amino-4-[(2-bromophenyl)methoxy]benzoic acid
CID 43379750
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-N-ethyl-4-(thiophen-2-ylmethoxy)benzamide
CID 82999856
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
CID 107596572
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide (CID 82990987) is 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide is CCNC(=O)c1ccc(OCc2ccccc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide?
The InChIKey is HJVFZAXLTSCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-19-16(20)11-7-8-15(14(18)9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide?
3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 82990987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).