N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide

C14H19ClN2O2 — CID 75520581

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-14(18)16-12-4-3-11(13(15)9-12)10-17-5-7-19-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyXYNVHYZTSCGGIF-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.52
Rot. Bonds4

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 75520581) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID75520581
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-14(18)16-12-4-3-11(13(15)9-12)10-17-5-7-19-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyXYNVHYZTSCGGIF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 75520581) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide is CCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is XYNVHYZTSCGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-14(18)16-12-4-3-11(13(15)9-12)10-17-5-7-19-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 282.77 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 75520581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).