2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide

C15H14BrClN2O2 — CID 61389716

IUPAC2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
SMILESNCc1cccc(Br)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c16-13-3-1-2-10(8-18)15(13)21-9-14(20)19-12-6-4-11(17)5-7-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeyNSBUFKPDTHINML-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide

2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 61389716) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID61389716
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
SMILESNCc1cccc(Br)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c16-13-3-1-2-10(8-18)15(13)21-9-14(20)19-12-6-4-11(17)5-7-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeyNSBUFKPDTHINML-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 115951921
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
N-(2-amino-5-chlorophenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29050775
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
CID 114322295
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide (CID 61389716) is 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide is NCc1cccc(Br)c1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is NSBUFKPDTHINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-13-3-1-2-10(8-18)15(13)21-9-14(20)19-12-6-4-11(17)5-7-12/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide?
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 369.65 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 61389716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).