2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

C15H21ClN2O2 — CID 2234725

IUPAC2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyLMIREQCMXHUNFH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.10
Rot. Bonds5

About 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide

2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2234725) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2234725
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyLMIREQCMXHUNFH-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 2234725) is 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is LMIREQCMXHUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2234725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).