3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C16H22Cl2N2O3 — CID 17013971

IUPAC3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-2-23-15-13(17)10-12(11-14(15)18)16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,2-9H2,1H3,(H,19,21)
InChIKeyBWAOAUHQAVUUDR-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.84
Rot. Bonds7

About 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 17013971) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID17013971
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-2-23-15-13(17)10-12(11-14(15)18)16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,2-9H2,1H3,(H,19,21)
InChIKeyBWAOAUHQAVUUDR-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 17013971) is 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCOc1c(Cl)cc(C(=O)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is BWAOAUHQAVUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-2-23-15-13(17)10-12(11-14(15)18)16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,2-9H2,1H3,(H,19,21).
What are the key properties of 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 361.27 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 17013971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).