N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide

C13H16Cl2N2O2 — CID 2804748

IUPACN-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-7-11(15)9-12(8-10)16-13(18)1-2-17-3-5-19-6-4-17/h7-9H,1-6H2,(H,16,18)
InChIKeyAFZWMCQTSRNBIA-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.65
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide

N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 2804748) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide
PubChem CID2804748
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-7-11(15)9-12(8-10)16-13(18)1-2-17-3-5-19-6-4-17/h7-9H,1-6H2,(H,16,18)
InChIKeyAFZWMCQTSRNBIA-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide (CID 2804748) is N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is AFZWMCQTSRNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-7-11(15)9-12(8-10)16-13(18)1-2-17-3-5-19-6-4-17/h7-9H,1-6H2,(H,16,18).
What are the key properties of N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide?
N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 303.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 2804748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).