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

C20H23BrN2O2 — CID 26162225

IUPAC2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C20H23BrN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyLJWSFWWBIJUZMQ-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.96
Rot. Bonds7

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

2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide (PubChem CID 26162225) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
PubChem CID26162225
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C20H23BrN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyLJWSFWWBIJUZMQ-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
3-benzamido-N,N-dibutylbenzamide
CID 4270775
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 26162487
2-bromo-N-(3-methylphenyl)benzamide
CID 532187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide (CID 26162225) is 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide?
The InChIKey is LJWSFWWBIJUZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide?
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide has a molecular weight of 403.32 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26162225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).