2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide

C11H12Cl3NO — CID 63395049

IUPAC2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(7-6-12)11(16)8-4-3-5-9(13)10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyWNMFRDKERANGHN-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.69
Rot. Bonds4

About 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide

2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide (PubChem CID 63395049) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
PubChem CID63395049
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(7-6-12)11(16)8-4-3-5-9(13)10(8)14/h3-5H,2,6-7H2,1H3
InChIKeyWNMFRDKERANGHN-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.69
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

2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide?
The IUPAC name of 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide (CID 63395049) is 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide?
The canonical SMILES for 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide is CCN(CCCl)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide?
The InChIKey is WNMFRDKERANGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-2-15(7-6-12)11(16)8-4-3-5-9(13)10(8)14/h3-5H,2,6-7H2,1H3.
What are the key properties of 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide?
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide has a molecular weight of 280.58 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide is sourced from PubChem (CID 63395049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).