3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C16H23ClN2O3 — CID 100744644

IUPAC3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-2-22-15-5-4-13(12-14(15)17)16(20)18-6-3-7-19-8-10-21-11-9-19/h4-5,12H,2-3,6-11H2,1H3,(H,18,20)
InChIKeyDZEFBPJLQKGKOZ-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.19
Rot. Bonds7

About 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 100744644) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID100744644
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-2-22-15-5-4-13(12-14(15)17)16(20)18-6-3-7-19-8-10-21-11-9-19/h4-5,12H,2-3,6-11H2,1H3,(H,18,20)
InChIKeyDZEFBPJLQKGKOZ-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.19
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

3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 100744644) is 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DZEFBPJLQKGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-2-22-15-5-4-13(12-14(15)17)16(20)18-6-3-7-19-8-10-21-11-9-19/h4-5,12H,2-3,6-11H2,1H3,(H,18,20).
What are the key properties of 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 100744644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).