3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide

C19H21BrN2O3 — CID 17342812

IUPAC3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-3-11-25-17-10-9-13(12-15(17)20)18(23)22-16-8-6-5-7-14(16)19(24)21-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCBOSAIIEVDMKOG-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.24
Rot. Bonds7

About 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide

3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide (PubChem CID 17342812) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
PubChem CID17342812
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-3-11-25-17-10-9-13(12-15(17)20)18(23)22-16-8-6-5-7-14(16)19(24)21-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCBOSAIIEVDMKOG-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
3-bromo-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide
CID 4959870
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 4959553
N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-propoxybenzamide
CID 17343077
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide (CID 17342812) is 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is CBOSAIIEVDMKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-11-25-17-10-9-13(12-15(17)20)18(23)22-16-8-6-5-7-14(16)19(24)21-4-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide?
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17342812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).