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

C18H17BrN2O3 — CID 2116480

IUPAC3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-3-7-24-17-15(19)9-13(10-16(17)23-2)18(22)21-14-6-4-5-12(8-14)11-20/h4-6,8-10H,3,7H2,1-2H3,(H,21,22)
InChIKeyCHXZQOVLSYEJPI-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.37
Rot. Bonds6

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

3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 2116480) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
PubChem CID2116480
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-3-7-24-17-15(19)9-13(10-16(17)23-2)18(22)21-14-6-4-5-12(8-14)11-20/h4-6,8-10H,3,7H2,1-2H3,(H,21,22)
InChIKeyCHXZQOVLSYEJPI-UHFFFAOYSA-N
XLogP4.37
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
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-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
CID 34258807
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
CID 24535262
(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-(3-cyanophenyl)prop-2-enamide
CID 26727852

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide (CID 2116480) is 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2cccc(C#N)c2)cc1OC.
What is the InChIKey of 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is CHXZQOVLSYEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-7-24-17-15(19)9-13(10-16(17)23-2)18(22)21-14-6-4-5-12(8-14)11-20/h4-6,8-10H,3,7H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide?
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 389.25 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 2116480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).