3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide

C24H31BrN2O3 — CID 26162487

IUPAC3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1
InChIInChI=1S/C24H31BrN2O3/c1-5-12-27(13-6-2)24(29)19-8-7-9-20(14-19)26-23(28)18-10-11-22(21(25)15-18)30-16-17(3)4/h7-11,14-15,17H,5-6,12-13,16H2,1-4H3,(H,26,28)
InChIKeyZWLATSCNGWYDIE-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.00
Rot. Bonds10

About 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide

3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 26162487) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID26162487
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC Name3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1
InChIInChI=1S/C24H31BrN2O3/c1-5-12-27(13-6-2)24(29)19-8-7-9-20(14-19)26-23(28)18-10-11-22(21(25)15-18)30-16-17(3)4/h7-11,14-15,17H,5-6,12-13,16H2,1-4H3,(H,26,28)
InChIKeyZWLATSCNGWYDIE-UHFFFAOYSA-N
XLogP6.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17204631
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17231880
3-bromo-4-(2-methylpropoxy)-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202376
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide (CID 26162487) is 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is ZWLATSCNGWYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O3/c1-5-12-27(13-6-2)24(29)19-8-7-9-20(14-19)26-23(28)18-10-11-22(21(25)15-18)30-16-17(3)4/h7-11,14-15,17H,5-6,12-13,16H2,1-4H3,(H,26,28).
What are the key properties of 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide?
3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 475.43 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 26162487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).