N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride

C13H18Cl2N2O2 — CID 24746939

IUPACN-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16;/h1-4H,5-10H2,(H,15,17);1H
InChIKeyFPUVJOCBHAALCT-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.42
Rot. Bonds4

About N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride

N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride (PubChem CID 24746939) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride
PubChem CID24746939
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16;/h1-4H,5-10H2,(H,15,17);1H
InChIKeyFPUVJOCBHAALCT-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride (CID 24746939) is N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride is Cl.O=C(CCN1CCOCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride?
The InChIKey is FPUVJOCBHAALCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16;/h1-4H,5-10H2,(H,15,17);1H.
What are the key properties of N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride?
N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 24746939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).