N-(3-bromo-4-methylphenyl)-3-propoxybenzamide

C17H18BrNO2 — CID 63529162

IUPACN-(3-bromo-4-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(18)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyIXUPHFZDZWIBHY-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.80
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-3-propoxybenzamide

N-(3-bromo-4-methylphenyl)-3-propoxybenzamide (PubChem CID 63529162) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-propoxybenzamide
PubChem CID63529162
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(3-bromo-4-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(18)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyIXUPHFZDZWIBHY-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-propoxybenzamide (CID 63529162) is N-(3-bromo-4-methylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-propoxybenzamide?
The InChIKey is IXUPHFZDZWIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-9-21-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(18)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-propoxybenzamide?
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-propoxybenzamide is sourced from PubChem (CID 63529162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).