3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide

C16H19Cl2N3O2 — CID 60520123

IUPAC3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H19Cl2N3O2/c17-14-10-13(11-15(18)12-14)16(22)21(3-1-2-19)5-4-20-6-8-23-9-7-20/h10-12H,1,3-9H2
InChIKeyVOWZODNSXYHHQF-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.68
Rot. Bonds6

About 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide

3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 60520123) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID60520123
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H19Cl2N3O2/c17-14-10-13(11-15(18)12-14)16(22)21(3-1-2-19)5-4-20-6-8-23-9-7-20/h10-12H,1,3-9H2
InChIKeyVOWZODNSXYHHQF-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

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Related Compounds

2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 134014764
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 60954321
3-chloro-N-(2-cyanoethyl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 62726448
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
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
1-(2-cyanoethyl)-1-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)urea
CID 71943631
2-[2-cyanoethyl(2-morpholin-4-ylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60952404

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 60520123) is 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide is N#CCCN(CCN1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VOWZODNSXYHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-14-10-13(11-15(18)12-14)16(22)21(3-1-2-19)5-4-20-6-8-23-9-7-20/h10-12H,1,3-9H2.
What are the key properties of 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide?
3,5-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 3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 60520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).