N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

C15H18ClF3N2O2 — CID 56874597

IUPACN-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCOC(C(F)(F)F)C1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-3-1-2-11(8-12)9-20-14(22)4-5-21-6-7-23-13(10-21)15(17,18)19/h1-3,8,13H,4-7,9-10H2,(H,20,22)
InChIKeyMNRCEKHBEHXSED-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.61
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 56874597) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID56874597
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCOC(C(F)(F)F)C1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-3-1-2-11(8-12)9-20-14(22)4-5-21-6-7-23-13(10-21)15(17,18)19/h1-3,8,13H,4-7,9-10H2,(H,20,22)
InChIKeyMNRCEKHBEHXSED-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 56874597) is N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is O=C(CCN1CCOC(C(F)(F)F)C1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is MNRCEKHBEHXSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c16-12-3-1-2-11(8-12)9-20-14(22)4-5-21-6-7-23-13(10-21)15(17,18)19/h1-3,8,13H,4-7,9-10H2,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 350.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56874597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).