2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide

C16H16Br2N2O — CID 60782010

IUPAC2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/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)
InChIKeyLWHLASCPZSSZOH-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.41
Rot. Bonds5

About 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide

2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide (PubChem CID 60782010) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
PubChem CID60782010
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/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)
InChIKeyLWHLASCPZSSZOH-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
CID 82775381
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide (CID 60782010) is 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide is CC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide?
The InChIKey is LWHLASCPZSSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/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-(2,4-dibromophenyl)ethylamino]phenyl]acetamide?
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide has a molecular weight of 412.13 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 60782010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).