2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid

C20H22BrClN2O5 — CID 47006345

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
SMILESCC(NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(Br)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H20BrClN2O.C2H2O4/c1-13(15-4-6-16(19)7-5-15)22-12-18(23)21-11-10-14-2-8-17(20)9-3-14;3-1(4)2(5)6/h2-9,13,22H,10-12H2,1H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyOPUMLGXJDIQSCN-UHFFFAOYSA-N
MW485.76 g/mol
LogP3.27
Rot. Bonds7

About 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid

2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid (PubChem CID 47006345) has the molecular formula C20H22BrClN2O5 and a molecular weight of 485.76 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
PubChem CID47006345
Molecular FormulaC20H22BrClN2O5
Molecular Weight485.76 g/mol
Exact Mass484.04
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
SMILESCC(NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(Br)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H20BrClN2O.C2H2O4/c1-13(15-4-6-16(19)7-5-15)22-12-18(23)21-11-10-14-2-8-17(20)9-3-14;3-1(4)2(5)6/h2-9,13,22H,10-12H2,1H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyOPUMLGXJDIQSCN-UHFFFAOYSA-N
XLogP3.27
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.76
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 2118904
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641631
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid (CID 47006345) is 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid is CC(NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(Br)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid?
The InChIKey is OPUMLGXJDIQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O.C2H2O4/c1-13(15-4-6-16(19)7-5-15)22-12-18(23)21-11-10-14-2-8-17(20)9-3-14;3-1(4)2(5)6/h2-9,13,22H,10-12H2,1H3,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid?
2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid has a molecular weight of 485.76 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid is sourced from PubChem (CID 47006345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).