5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide

C23H29BrN2O4 — CID 26160308

IUPAC5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1
InChIInChI=1S/C23H29BrN2O4/c1-16(2)10-13-30-21-9-8-18(24)15-20(21)23(28)26-19-7-4-6-17(14-19)22(27)25-11-5-12-29-3/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFTNBOPQGLFOFQC-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.89
Rot. Bonds11

About 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide

5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 26160308) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID26160308
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1
InChIInChI=1S/C23H29BrN2O4/c1-16(2)10-13-30-21-9-8-18(24)15-20(21)23(28)26-19-7-4-6-17(14-19)22(27)25-11-5-12-29-3/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFTNBOPQGLFOFQC-UHFFFAOYSA-N
XLogP4.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.89
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-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17219325
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-N-[[3-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26160840
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-bromo-N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17197294
5-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17232141
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17219321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide (CID 26160308) is 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide is COCCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is FTNBOPQGLFOFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-16(2)10-13-30-21-9-8-18(24)15-20(21)23(28)26-19-7-4-6-17(14-19)22(27)25-11-5-12-29-3/h4,6-9,14-16H,5,10-13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 477.40 g/mol, XLogP of 4.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 26160308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).