5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide

C32H30Br2N2O4 — CID 17046885

IUPAC5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C32H30Br2N2O4/c33-25-11-13-29(39-19-15-23-7-3-1-4-8-23)27(21-25)31(37)35-17-18-36-32(38)28-22-26(34)12-14-30(28)40-20-16-24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,35,37)(H,36,38)
InChIKeyBVFPPNGDYGFOSO-UHFFFAOYSA-N
MW666.41 g/mol
LogP6.61
Rot. Bonds13

About 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide

5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17046885) has the molecular formula C32H30Br2N2O4 and a molecular weight of 666.41 g/mol. Its IUPAC name is 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
PubChem CID17046885
Molecular FormulaC32H30Br2N2O4
Molecular Weight666.41 g/mol
Exact Mass664.06
IUPAC Name5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C32H30Br2N2O4/c33-25-11-13-29(39-19-15-23-7-3-1-4-8-23)27(21-25)31(37)35-17-18-36-32(38)28-22-26(34)12-14-30(28)40-20-16-24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,35,37)(H,36,38)
InChIKeyBVFPPNGDYGFOSO-UHFFFAOYSA-N
XLogP6.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.41
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide (CID 17046885) is 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide is O=C(NCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is BVFPPNGDYGFOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2N2O4/c33-25-11-13-29(39-19-15-23-7-3-1-4-8-23)27(21-25)31(37)35-17-18-36-32(38)28-22-26(34)12-14-30(28)40-20-16-24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,35,37)(H,36,38).
What are the key properties of 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 666.41 g/mol, XLogP of 6.61, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).