N-(2-bromoethyl)-2-chloro-N-ethylbenzamide

C11H13BrClNO — CID 80660841

IUPACN-(2-bromoethyl)-2-chloro-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-2-14(8-7-12)11(15)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyQIFDGPXQXVTHRR-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.20
Rot. Bonds4

About N-(2-bromoethyl)-2-chloro-N-ethylbenzamide

N-(2-bromoethyl)-2-chloro-N-ethylbenzamide (PubChem CID 80660841) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-chloro-N-ethylbenzamide
PubChem CID80660841
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromoethyl)-2-chloro-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-2-14(8-7-12)11(15)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyQIFDGPXQXVTHRR-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-chloro-N-ethylbenzamide?
The IUPAC name of N-(2-bromoethyl)-2-chloro-N-ethylbenzamide (CID 80660841) is N-(2-bromoethyl)-2-chloro-N-ethylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-2-chloro-N-ethylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-2-chloro-N-ethylbenzamide is CCN(CCBr)C(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-bromoethyl)-2-chloro-N-ethylbenzamide?
The InChIKey is QIFDGPXQXVTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-2-14(8-7-12)11(15)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-chloro-N-ethylbenzamide?
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 80660841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).