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

C13H16Cl2N2O2 — CID 750384

IUPAC3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(9-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyZCPHAJYJJHVMND-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.06
Rot. Bonds4

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

3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 750384) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID750384
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(9-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyZCPHAJYJJHVMND-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
1-(3-Chlorobenzoyl)piperazine
CID 1074765
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
ethyl 4-[(4-chlorobenzoyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
CID 2815504
3,4-dichloro-N-propylbenzamide
CID 346715
4-(3,5-Dichlorobenzoyl)morpholine
CID 790875
GW-766994
CID 10218765
Benzamide, N-(2-aminoethyl)-4-chloro-, hydrochloride (1:1)
CID 5702251
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
1-(4-Chlorobenzoyl)piperazine
CID 4101484

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide (CID 750384) is 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ZCPHAJYJJHVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-2-1-10(9-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18).
What are the key properties of 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 750384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).