4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide

C13H15Cl2NO2 — CID 55186100

IUPAC4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-8-9(15)2-5-11(12)13(17)16(7-6-14)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyNNOBDRBBGGLWMX-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide

4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide (PubChem CID 55186100) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
PubChem CID55186100
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-8-9(15)2-5-11(12)13(17)16(7-6-14)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyNNOBDRBBGGLWMX-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.19
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-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
CID 90607046
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methoxybenzamide
CID 102872904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide (CID 55186100) is 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)N(CCCl)C1CC1.
What is the InChIKey of 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide?
The InChIKey is NNOBDRBBGGLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-12-8-9(15)2-5-11(12)13(17)16(7-6-14)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide?
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide has a molecular weight of 288.17 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide is sourced from PubChem (CID 55186100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).