N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide

C32H28Br2Cl2N2O4 — CID 4667979

IUPACN-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)N(CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl)Cc1ccccc1
InChIInChI=1S/C32H28Br2Cl2N2O4/c33-25-11-13-29(27(35)17-25)41-21-31(39)37(19-23-7-3-1-4-8-23)15-16-38(20-24-9-5-2-6-10-24)32(40)22-42-30-14-12-26(34)18-28(30)36/h1-14,17-18H,15-16,19-22H2
InChIKeyJEUVTIDXFGRTPX-UHFFFAOYSA-N
MW735.30 g/mol
LogP8.03
Rot. Bonds13

About N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide

N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide (PubChem CID 4667979) has the molecular formula C32H28Br2Cl2N2O4 and a molecular weight of 735.30 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
PubChem CID4667979
Molecular FormulaC32H28Br2Cl2N2O4
Molecular Weight735.30 g/mol
Exact Mass731.98
IUPAC NameN-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)N(CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl)Cc1ccccc1
InChIInChI=1S/C32H28Br2Cl2N2O4/c33-25-11-13-29(27(35)17-25)41-21-31(39)37(19-23-7-3-1-4-8-23)15-16-38(20-24-9-5-2-6-10-24)32(40)22-42-30-14-12-26(34)18-28(30)36/h1-14,17-18H,15-16,19-22H2
InChIKeyJEUVTIDXFGRTPX-UHFFFAOYSA-N
XLogP8.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.30
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 17052222
(2R)-2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566219
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096627
2-[(2-amino-2-oxoethyl)-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]acetic acid
CID 107433623
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]ethyl]-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17190037
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132675380
(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100689334
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
N-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide (CID 4667979) is N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide is O=C(COc1ccc(Br)cc1Cl)N(CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide?
The InChIKey is JEUVTIDXFGRTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br2Cl2N2O4/c33-25-11-13-29(27(35)17-25)41-21-31(39)37(19-23-7-3-1-4-8-23)15-16-38(20-24-9-5-2-6-10-24)32(40)22-42-30-14-12-26(34)18-28(30)36/h1-14,17-18H,15-16,19-22H2.
What are the key properties of N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide?
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide has a molecular weight of 735.30 g/mol, XLogP of 8.03, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide is sourced from PubChem (CID 4667979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).