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

C46H42Br2N2O4 — CID 17046888

IUPACN-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(c1cc(Br)ccc1OCCc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H42Br2N2O4/c47-39-21-23-43(53-29-25-35-13-5-1-6-14-35)41(31-39)45(51)49(33-37-17-9-3-10-18-37)27-28-50(34-38-19-11-4-12-20-38)46(52)42-32-40(48)22-24-44(42)54-30-26-36-15-7-2-8-16-36/h1-24,31-32H,25-30,33-34H2
InChIKeyUEQYUPUUJHQFSL-UHFFFAOYSA-N
MW846.66 g/mol
LogP10.44
Rot. Bonds17

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

N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide (PubChem CID 17046888) has the molecular formula C46H42Br2N2O4 and a molecular weight of 846.66 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
PubChem CID17046888
Molecular FormulaC46H42Br2N2O4
Molecular Weight846.66 g/mol
Exact Mass844.15
IUPAC NameN-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(c1cc(Br)ccc1OCCc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H42Br2N2O4/c47-39-21-23-43(53-29-25-35-13-5-1-6-14-35)41(31-39)45(51)49(33-37-17-9-3-10-18-37)27-28-50(34-38-19-11-4-12-20-38)46(52)42-32-40(48)22-24-44(42)54-30-26-36-15-7-2-8-16-36/h1-24,31-32H,25-30,33-34H2
InChIKeyUEQYUPUUJHQFSL-UHFFFAOYSA-N
XLogP10.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.66
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
ethyl 3-[benzyl-(5-bromo-2-butoxybenzoyl)amino]propanoate
CID 43910716
ethyl 3-[benzyl-[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]propanoate
CID 43910727
5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
CID 17046055
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
CID 4954876
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide (CID 17046888) is N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide is O=C(c1cc(Br)ccc1OCCc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide?
The InChIKey is UEQYUPUUJHQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42Br2N2O4/c47-39-21-23-43(53-29-25-35-13-5-1-6-14-35)41(31-39)45(51)49(33-37-17-9-3-10-18-37)27-28-50(34-38-19-11-4-12-20-38)46(52)42-32-40(48)22-24-44(42)54-30-26-36-15-7-2-8-16-36/h1-24,31-32H,25-30,33-34H2.
What are the key properties of N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide?
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide has a molecular weight of 846.66 g/mol, XLogP of 10.44, 17 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-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).