4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide

C15H21ClN2O2 — CID 43168028

IUPAC4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CCl)cc1
InChIInChI=1S/C15H21ClN2O2/c16-12-13-2-4-14(5-3-13)15(19)17-6-1-7-18-8-10-20-11-9-18/h2-5H,1,6-12H2,(H,17,19)
InChIKeyJERQSJSQLHJMIH-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.88
Rot. Bonds6

About 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide

4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43168028) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID43168028
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CCl)cc1
InChIInChI=1S/C15H21ClN2O2/c16-12-13-2-4-14(5-3-13)15(19)17-6-1-7-18-8-10-20-11-9-18/h2-5H,1,6-12H2,(H,17,19)
InChIKeyJERQSJSQLHJMIH-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 43168028) is 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is JERQSJSQLHJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-13-2-4-14(5-3-13)15(19)17-6-1-7-18-8-10-20-11-9-18/h2-5H,1,6-12H2,(H,17,19).
What are the key properties of 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43168028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).