3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide

C17H17Br2NO3 — CID 5213088

IUPAC3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H17Br2NO3/c1-3-8-23-16-14(19)9-11(10-15(16)22-2)17(21)20-13-6-4-12(18)5-7-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyPKMFEBNTLOGPHF-UHFFFAOYSA-N
MW443.14 g/mol
LogP5.26
Rot. Bonds6

About 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide

3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 5213088) has the molecular formula C17H17Br2NO3 and a molecular weight of 443.14 g/mol. Its IUPAC name is 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
PubChem CID5213088
Molecular FormulaC17H17Br2NO3
Molecular Weight443.14 g/mol
Exact Mass440.96
IUPAC Name3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H17Br2NO3/c1-3-8-23-16-14(19)9-11(10-15(16)22-2)17(21)20-13-6-4-12(18)5-7-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyPKMFEBNTLOGPHF-UHFFFAOYSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.14
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide (CID 5213088) is 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is PKMFEBNTLOGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO3/c1-3-8-23-16-14(19)9-11(10-15(16)22-2)17(21)20-13-6-4-12(18)5-7-13/h4-7,9-10H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide?
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 443.14 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 5213088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).