3-bromo-N-ethyl-4-methoxybenzamide

C10H12BrNO2 — CID 51200283

IUPAC3-bromo-N-ethyl-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-3-12-10(13)7-4-5-9(14-2)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyITYRTSLDFUWCMW-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.21
Rot. Bonds3

About 3-bromo-N-ethyl-4-methoxybenzamide

3-bromo-N-ethyl-4-methoxybenzamide (PubChem CID 51200283) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methoxybenzamide
PubChem CID51200283
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-N-ethyl-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-3-12-10(13)7-4-5-9(14-2)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyITYRTSLDFUWCMW-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-(ethylcarbamothioyl)-4-methoxybenzamide
CID 4947770
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-ethyl-4-methoxybenzamide (CID 51200283) is 3-bromo-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-methoxybenzamide is CCNC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-methoxybenzamide?
The InChIKey is ITYRTSLDFUWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-12-10(13)7-4-5-9(14-2)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-N-ethyl-4-methoxybenzamide?
3-bromo-N-ethyl-4-methoxybenzamide has a molecular weight of 258.11 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 51200283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).