N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide

C14H19ClN2O2 — CID 3069644

IUPACN-(3-chlorophenyl)-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-13(17-6-8-19-9-7-17)14(18)16-12-5-3-4-11(15)10-12/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)
InChIKeyPJMHOQBNIRMYGY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.39
Rot. Bonds4

About N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide

N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide (PubChem CID 3069644) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-morpholin-4-ylbutanamide
PubChem CID3069644
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chlorophenyl)-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-13(17-6-8-19-9-7-17)14(18)16-12-5-3-4-11(15)10-12/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)
InChIKeyPJMHOQBNIRMYGY-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide (CID 3069644) is N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide is CCC(C(=O)Nc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide?
The InChIKey is PJMHOQBNIRMYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-13(17-6-8-19-9-7-17)14(18)16-12-5-3-4-11(15)10-12/h3-5,10,13H,2,6-9H2,1H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide?
N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide has a molecular weight of 282.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 3069644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).