2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide

C15H14BrClN2O2 — CID 115951921

IUPAC2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
SMILESNCc1cccc(Cl)c1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-11-4-2-5-12(7-11)19-14(20)9-21-15-10(8-18)3-1-6-13(15)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyZLDSSHLTLQGSRH-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide (PubChem CID 115951921) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
PubChem CID115951921
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
SMILESNCc1cccc(Cl)c1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-11-4-2-5-12(7-11)19-14(20)9-21-15-10(8-18)3-1-6-13(15)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyZLDSSHLTLQGSRH-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-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 114318480
N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178145
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide (CID 115951921) is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide is NCc1cccc(Cl)c1OCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The InChIKey is ZLDSSHLTLQGSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-11-4-2-5-12(7-11)19-14(20)9-21-15-10(8-18)3-1-6-13(15)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide?
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)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-chlorophenoxy]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 115951921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).