N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide

C11H13BrClNO2 — CID 80658337

IUPACN-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)CCBr
InChIInChI=1S/C11H13BrClNO2/c1-14(6-5-12)11(15)9-7-8(13)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyCZFBPQSJIULXTB-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.82
Rot. Bonds4

About N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide

N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide (PubChem CID 80658337) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
PubChem CID80658337
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)CCBr
InChIInChI=1S/C11H13BrClNO2/c1-14(6-5-12)11(15)9-7-8(13)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyCZFBPQSJIULXTB-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.82
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

N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 76928902
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
3-bromo-1-(5-chloro-2-methoxyphenyl)propane-1,2-dione
CID 82134939
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779
5-chloro-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 28739149
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
5-chloro-2-methoxybenzoate
CID 6933314
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide (CID 80658337) is N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide is COc1ccc(Cl)cc1C(=O)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide?
The InChIKey is CZFBPQSJIULXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-14(6-5-12)11(15)9-7-8(13)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide?
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 80658337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).