N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide

C12H15BrClNO2 — CID 80661232

IUPACN-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
SMILESCCN(CCBr)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H15BrClNO2/c1-3-15(7-6-13)12(16)10-8-9(14)4-5-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyIHFZFCQUDHHVPH-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.21
Rot. Bonds5

About N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide

N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide (PubChem CID 80661232) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
PubChem CID80661232
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
SMILESCCN(CCBr)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H15BrClNO2/c1-3-15(7-6-13)12(16)10-8-9(14)4-5-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyIHFZFCQUDHHVPH-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.21
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-2-methoxy-N-methylbenzamide
CID 80658337
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531101
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide (CID 80661232) is N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide is CCN(CCBr)C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide?
The InChIKey is IHFZFCQUDHHVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-3-15(7-6-13)12(16)10-8-9(14)4-5-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide?
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide has a molecular weight of 320.61 g/mol, XLogP of 3.21, 5 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-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 80661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).