3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

C20H24BrNO4 — CID 40896926

IUPAC3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-5-10-26-19-16(21)11-14(12-18(19)25-4)20(23)22-13(2)15-8-6-7-9-17(15)24-3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/t13-/m0/s1
InChIKeyFIYXKAAOUFLFMA-ZDUSSCGKSA-N
MW422.32 g/mol
LogP4.75
Rot. Bonds8

About 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (PubChem CID 40896926) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
PubChem CID40896926
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-5-10-26-19-16(21)11-14(12-18(19)25-4)20(23)22-13(2)15-8-6-7-9-17(15)24-3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/t13-/m0/s1
InChIKeyFIYXKAAOUFLFMA-ZDUSSCGKSA-N
XLogP4.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[cyano-(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 56572153
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104852020
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (CID 40896926) is 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccccc2OC)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The InChIKey is FIYXKAAOUFLFMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-5-10-26-19-16(21)11-14(12-18(19)25-4)20(23)22-13(2)15-8-6-7-9-17(15)24-3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide has a molecular weight of 422.32 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 40896926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).