2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide

C16H19Cl2N3O2 — CID 60520270

IUPAC2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-13-2-3-14(15(18)12-13)16(22)21(5-1-4-19)7-6-20-8-10-23-11-9-20/h2-3,12H,1,5-11H2
InChIKeyLHGXWQWBMVJMRQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.68
Rot. Bonds6

About 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide

2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 60520270) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID60520270
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-13-2-3-14(15(18)12-13)16(22)21(5-1-4-19)7-6-20-8-10-23-11-9-20/h2-3,12H,1,5-11H2
InChIKeyLHGXWQWBMVJMRQ-UHFFFAOYSA-N
XLogP2.68
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
2,4-dichloro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 99181718
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 134014764
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 60954321
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 78799349
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 60520270) is 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide is N#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LHGXWQWBMVJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-13-2-3-14(15(18)12-13)16(22)21(5-1-4-19)7-6-20-8-10-23-11-9-20/h2-3,12H,1,5-11H2.
What are the key properties of 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 356.25 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 60520270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).