N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide

C15H14BrClN2O2 — CID 103806449

IUPACN-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyHBZBTDVGZNTDEN-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.69
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide

N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide (PubChem CID 103806449) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
PubChem CID103806449
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyHBZBTDVGZNTDEN-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
CID 103806452
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide (CID 103806449) is N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide is NCCOc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide?
The InChIKey is HBZBTDVGZNTDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-14-8-10(17)4-5-13(14)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide?
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide has a molecular weight of 369.65 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 103806449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).