3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide

C19H22BrNO3 — CID 17096782

IUPAC3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(OCCC)c(Br)c2)c1
InChIInChI=1S/C19H22BrNO3/c1-3-10-23-16-7-5-6-15(13-16)21-19(22)14-8-9-18(17(20)12-14)24-11-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,22)
InChIKeyDTZSBDNGSGTUNA-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.28
Rot. Bonds8

About 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide

3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide (PubChem CID 17096782) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
PubChem CID17096782
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(OCCC)c(Br)c2)c1
InChIInChI=1S/C19H22BrNO3/c1-3-10-23-16-7-5-6-15(13-16)21-19(22)14-8-9-18(17(20)12-14)24-11-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,22)
InChIKeyDTZSBDNGSGTUNA-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
CID 17154780
3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
3-bromo-N-(3-butoxyphenyl)-4-propan-2-yloxybenzamide
CID 17095128
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
CID 26160564

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide (CID 17096782) is 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2ccc(OCCC)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide?
The InChIKey is DTZSBDNGSGTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-3-10-23-16-7-5-6-15(13-16)21-19(22)14-8-9-18(17(20)12-14)24-11-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide?
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide has a molecular weight of 392.29 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 17096782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).