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

C19H21BrN2O3 — CID 17342801

IUPAC3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-4-11-25-17-10-9-13(12-15(17)20)18(23)21-16-8-6-5-7-14(16)19(24)22(2)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyVLKKGLLLVBLYDK-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.19
Rot. Bonds6

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

3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide (PubChem CID 17342801) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
PubChem CID17342801
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-4-11-25-17-10-9-13(12-15(17)20)18(23)21-16-8-6-5-7-14(16)19(24)22(2)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyVLKKGLLLVBLYDK-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 4959553
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
3-bromo-N-[[2-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074073
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide (CID 17342801) is 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is VLKKGLLLVBLYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-4-11-25-17-10-9-13(12-15(17)20)18(23)21-16-8-6-5-7-14(16)19(24)22(2)3/h5-10,12H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide?
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17342801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).