3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide

C18H20BrNO4 — CID 17134058

IUPAC3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H20BrNO4/c1-3-23-10-11-24-17-7-5-4-6-15(17)20-18(21)13-8-9-16(22-2)14(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyTTXHEMDPUKZRQZ-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.13
Rot. Bonds8

About 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide

3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide (PubChem CID 17134058) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
PubChem CID17134058
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H20BrNO4/c1-3-23-10-11-24-17-7-5-4-6-15(17)20-18(21)13-8-9-16(22-2)14(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyTTXHEMDPUKZRQZ-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
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-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide (CID 17134058) is 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide is CCOCCOc1ccccc1NC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide?
The InChIKey is TTXHEMDPUKZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-3-23-10-11-24-17-7-5-4-6-15(17)20-18(21)13-8-9-16(22-2)14(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide?
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide has a molecular weight of 394.27 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 17134058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).