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

C12H14Cl3NO — CID 63393170

IUPAC2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
SMILESCCCN(CCCl)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO/c1-2-7-16(8-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8H2,1H3
InChIKeyKNJZUYCPJLUQHZ-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.08
Rot. Bonds5

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

2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide (PubChem CID 63393170) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
PubChem CID63393170
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
SMILESCCCN(CCCl)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO/c1-2-7-16(8-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8H2,1H3
InChIKeyKNJZUYCPJLUQHZ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.08
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-ethylbenzamide
CID 63395049
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
N-(2-amino-2-sulfanylideneethyl)-3-chloro-2-methyl-N-propylbenzamide
CID 107096826

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide?
The IUPAC name of 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide (CID 63393170) is 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide?
The canonical SMILES for 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide is CCCN(CCCl)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide?
The InChIKey is KNJZUYCPJLUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-2-7-16(8-6-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,2,6-8H2,1H3.
What are the key properties of 2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide?
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide has a molecular weight of 294.61 g/mol, XLogP of 4.08, 5 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-propylbenzamide is sourced from PubChem (CID 63393170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).