2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide

C14H20BrNO2 — CID 60741091

IUPAC2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-5-16(9-10(2)3)14(17)12-8-11(18-4)6-7-13(12)15/h6-8,10H,5,9H2,1-4H3
InChIKeyKDKQAVDENVUJGC-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.58
Rot. Bonds5

About 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide

2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 60741091) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
PubChem CID60741091
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-5-16(9-10(2)3)14(17)12-8-11(18-4)6-7-13(12)15/h6-8,10H,5,9H2,1-4H3
InChIKeyKDKQAVDENVUJGC-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
2-bromo-N,N-bis(cyanomethyl)-5-methoxybenzamide
CID 60659165
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
1-(2-bromo-5-methoxyphenyl)-3-methylpentan-1-one
CID 105091755
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 55372001
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide (CID 60741091) is 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is KDKQAVDENVUJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-5-16(9-10(2)3)14(17)12-8-11(18-4)6-7-13(12)15/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide?
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60741091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).