4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide

C11H13BrClNO2 — CID 115370131

IUPAC4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CCCl
InChIInChI=1S/C11H13BrClNO2/c1-14(6-5-13)11(15)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGMNMBCOORGKJBV-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.77
Rot. Bonds4

About 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide

4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide (PubChem CID 115370131) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
PubChem CID115370131
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CCCl
InChIInChI=1S/C11H13BrClNO2/c1-14(6-5-13)11(15)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGMNMBCOORGKJBV-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide (CID 115370131) is 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide is COc1cc(Br)ccc1C(=O)N(C)CCCl.
What is the InChIKey of 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide?
The InChIKey is GMNMBCOORGKJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-14(6-5-13)11(15)9-4-3-8(12)7-10(9)16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide?
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 115370131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).