5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide

C19H19BrN2O2 — CID 17350713

IUPAC5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H19BrN2O2/c1-13(2)8-9-24-18-7-6-15(20)11-17(18)19(23)22-16-5-3-4-14(10-16)12-21/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,23)
InChIKeyNGWXRFQXLDUTOL-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.00
Rot. Bonds6

About 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide

5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide (PubChem CID 17350713) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
PubChem CID17350713
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H19BrN2O2/c1-13(2)8-9-24-18-7-6-15(20)11-17(18)19(23)22-16-5-3-4-14(10-16)12-21/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,23)
InChIKeyNGWXRFQXLDUTOL-UHFFFAOYSA-N
XLogP5.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350704
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-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-N-[(3-cyanophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17051927
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide (CID 17350713) is 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide?
The InChIKey is NGWXRFQXLDUTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13(2)8-9-24-18-7-6-15(20)11-17(18)19(23)22-16-5-3-4-14(10-16)12-21/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide?
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide has a molecular weight of 387.28 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17350713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).