4-bromo-N-ethyl-3-methylbenzamide

C10H12BrNO — CID 18712023

IUPAC4-bromo-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyPZCJWOZCVPXGOU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.51
Rot. Bonds2

About 4-bromo-N-ethyl-3-methylbenzamide

4-bromo-N-ethyl-3-methylbenzamide (PubChem CID 18712023) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methylbenzamide
PubChem CID18712023
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyPZCJWOZCVPXGOU-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
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4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
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4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
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4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
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N-ethyl-3-methyl-4-propan-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-3-methylbenzamide (CID 18712023) is 4-bromo-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-methylbenzamide?
The InChIKey is PZCJWOZCVPXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N-ethyl-3-methylbenzamide?
4-bromo-N-ethyl-3-methylbenzamide has a molecular weight of 242.12 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 18712023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).