N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide

C17H18BrNO2 — CID 60666490

IUPACN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-11-4-9-16(21-3)15(10-11)17(20)19-12(2)13-5-7-14(18)8-6-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyIGFVKLLONBXFSJ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide

N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 60666490) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID60666490
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-11-4-9-16(21-3)15(10-11)17(20)19-12(2)13-5-7-14(18)8-6-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyIGFVKLLONBXFSJ-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide (CID 60666490) is N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is IGFVKLLONBXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-4-9-16(21-3)15(10-11)17(20)19-12(2)13-5-7-14(18)8-6-13/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide?
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 60666490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).