2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide

C16H16BrClN2O — CID 82775381

IUPAC2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-10(14-7-4-12(17)9-15(14)18)20-13-5-2-11(3-6-13)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21)
InChIKeyQYVBEIWRZZERBL-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide

2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide (PubChem CID 82775381) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
PubChem CID82775381
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-10(14-7-4-12(17)9-15(14)18)20-13-5-2-11(3-6-13)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21)
InChIKeyQYVBEIWRZZERBL-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide (CID 82775381) is 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide is CC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide?
The InChIKey is QYVBEIWRZZERBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10(14-7-4-12(17)9-15(14)18)20-13-5-2-11(3-6-13)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21).
What are the key properties of 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide?
2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide has a molecular weight of 367.67 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 82775381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).