N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide

C17H18BrNO2 — CID 135071574

IUPACN-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide
SMILESCOc1ccc(Br)c(N(C)C(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12(13-7-5-4-6-8-13)17(20)19(2)16-11-14(21-3)9-10-15(16)18/h4-12H,1-3H3
InChIKeyLKGJIVLEZWBMMN-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.22
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide

N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide (PubChem CID 135071574) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide
PubChem CID135071574
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide
SMILESCOc1ccc(Br)c(N(C)C(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12(13-7-5-4-6-8-13)17(20)19(2)16-11-14(21-3)9-10-15(16)18/h4-12H,1-3H3
InChIKeyLKGJIVLEZWBMMN-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide (CID 135071574) is N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide is COc1ccc(Br)c(N(C)C(=O)C(C)c2ccccc2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide?
The InChIKey is LKGJIVLEZWBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(13-7-5-4-6-8-13)17(20)19(2)16-11-14(21-3)9-10-15(16)18/h4-12H,1-3H3.
What are the key properties of N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide?
N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide has a molecular weight of 348.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 135071574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).