3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide

C18H18Br2N2O4 — CID 5120217

IUPAC3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C18H18Br2N2O4/c1-25-15-5-3-11(9-13(15)19)17(23)21-7-8-22-18(24)12-4-6-16(26-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySKHNZDLNBZGZIX-UHFFFAOYSA-N
MW486.16 g/mol
LogP3.39
Rot. Bonds7

About 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide (PubChem CID 5120217) has the molecular formula C18H18Br2N2O4 and a molecular weight of 486.16 g/mol. Its IUPAC name is 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
PubChem CID5120217
Molecular FormulaC18H18Br2N2O4
Molecular Weight486.16 g/mol
Exact Mass483.96
IUPAC Name3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C18H18Br2N2O4/c1-25-15-5-3-11(9-13(15)19)17(23)21-7-8-22-18(24)12-4-6-16(26-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySKHNZDLNBZGZIX-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.16
LogP ≤ 53.39
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

3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
3-bromo-4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9317011
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide (CID 5120217) is 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is SKHNZDLNBZGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O4/c1-25-15-5-3-11(9-13(15)19)17(23)21-7-8-22-18(24)12-4-6-16(26-2)14(20)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide has a molecular weight of 486.16 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 5120217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).