3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide

C20H23BrN2O5 — CID 34258807

IUPAC3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cccc(OCC(=O)NC)c2)cc1OC
InChIInChI=1S/C20H23BrN2O5/c1-4-8-27-19-16(21)9-13(10-17(19)26-3)20(25)23-14-6-5-7-15(11-14)28-12-18(24)22-2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDWKHTPCWPXNBHF-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.62
Rot. Bonds9

About 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide (PubChem CID 34258807) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
PubChem CID34258807
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cccc(OCC(=O)NC)c2)cc1OC
InChIInChI=1S/C20H23BrN2O5/c1-4-8-27-19-16(21)9-13(10-17(19)26-3)20(25)23-14-6-5-7-15(11-14)28-12-18(24)22-2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDWKHTPCWPXNBHF-UHFFFAOYSA-N
XLogP3.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide (CID 34258807) is 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2cccc(OCC(=O)NC)c2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide?
The InChIKey is DWKHTPCWPXNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-4-8-27-19-16(21)9-13(10-17(19)26-3)20(25)23-14-6-5-7-15(11-14)28-12-18(24)22-2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide has a molecular weight of 451.32 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide is sourced from PubChem (CID 34258807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).