5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide

C18H20BrNO2 — CID 17351460

IUPAC5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H20BrNO2/c1-4-10-22-17-9-8-14(19)11-15(17)18(21)20-16-7-5-6-12(2)13(16)3/h5-9,11H,4,10H2,1-3H3,(H,20,21)
InChIKeyGHWAQXMAPBIKHY-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.11
Rot. Bonds5

About 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide

5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide (PubChem CID 17351460) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
PubChem CID17351460
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H20BrNO2/c1-4-10-22-17-9-8-14(19)11-15(17)18(21)20-16-7-5-6-12(2)13(16)3/h5-9,11H,4,10H2,1-3H3,(H,20,21)
InChIKeyGHWAQXMAPBIKHY-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide (CID 17351460) is 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide?
The InChIKey is GHWAQXMAPBIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-10-22-17-9-8-14(19)11-15(17)18(21)20-16-7-5-6-12(2)13(16)3/h5-9,11H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide?
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide is sourced from PubChem (CID 17351460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).