N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide

C13H14ClF3N2O2 — CID 86682397

IUPACN-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O2/c14-10-1-2-11(18-12(20)13(15,16)17)9(7-10)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyDIIXGYNBCPNEMM-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.67
Rot. Bonds3

About N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 86682397) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID86682397
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC NameN-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O2/c14-10-1-2-11(18-12(20)13(15,16)17)9(7-10)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyDIIXGYNBCPNEMM-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide (CID 86682397) is N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)cc1CN1CCOCC1)C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DIIXGYNBCPNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-10-1-2-11(18-12(20)13(15,16)17)9(7-10)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,18,20).
What are the key properties of N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 322.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(morpholin-4-ylmethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86682397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).