N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide

C12H16BrNO2 — CID 80659973

IUPACN-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
SMILESCCN(CCBr)C(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)16-2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyXQJUEKPAKYOORZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.55
Rot. Bonds5

About N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide

N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide (PubChem CID 80659973) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
PubChem CID80659973
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
SMILESCCN(CCBr)C(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)16-2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyXQJUEKPAKYOORZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,N-dipropylbenzamide
CID 669439
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide (CID 80659973) is N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide is CCN(CCBr)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide?
The InChIKey is XQJUEKPAKYOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)16-2/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide?
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 80659973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).