3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide

C17H18BrNO3 — CID 3931758

IUPAC3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-3-9-22-16-14(18)10-12(11-15(16)21-2)17(20)19-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyOZHKJEJVLNPNPW-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.50
Rot. Bonds6

About 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide (PubChem CID 3931758) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
PubChem CID3931758
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-3-9-22-16-14(18)10-12(11-15(16)21-2)17(20)19-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyOZHKJEJVLNPNPW-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
CID 34258807
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-5-methoxy-N-(1-phenylpyrazol-3-yl)-4-propoxybenzamide
CID 55537143
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide (CID 3931758) is 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide?
The InChIKey is OZHKJEJVLNPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-9-22-16-14(18)10-12(11-15(16)21-2)17(20)19-13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide?
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide is sourced from PubChem (CID 3931758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).