3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C23H27BrN2O4 — CID 17194786

IUPAC3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C23H27BrN2O4/c1-16(2)9-12-30-21-8-5-18(15-20(21)24)22(27)25-19-6-3-17(4-7-19)23(28)26-10-13-29-14-11-26/h3-8,15-16H,9-14H2,1-2H3,(H,25,27)
InChIKeyHDBXARKWGSIHFN-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.60
Rot. Bonds7

About 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17194786) has the molecular formula C23H27BrN2O4 and a molecular weight of 475.38 g/mol. Its IUPAC name is 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17194786
Molecular FormulaC23H27BrN2O4
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C23H27BrN2O4/c1-16(2)9-12-30-21-8-5-18(15-20(21)24)22(27)25-19-6-3-17(4-7-19)23(28)26-10-13-29-14-11-26/h3-8,15-16H,9-14H2,1-2H3,(H,25,27)
InChIKeyHDBXARKWGSIHFN-UHFFFAOYSA-N
XLogP4.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17339427
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
5-bromo-2-(3-methylbutoxy)-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17195053
azepan-1-yl-[3-bromo-4-(3-methylbutoxy)phenyl]methanone
CID 54793485
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
[3-bromo-4-(3-methylbutoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 17175873
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 17194786) is 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is HDBXARKWGSIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O4/c1-16(2)9-12-30-21-8-5-18(15-20(21)24)22(27)25-19-6-3-17(4-7-19)23(28)26-10-13-29-14-11-26/h3-8,15-16H,9-14H2,1-2H3,(H,25,27).
What are the key properties of 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 475.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17194786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).