N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide

C16H22ClFN2O3 — CID 86795824

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H22ClFN2O3/c1-10(21)7-13-9-23-6-5-20(13)16(22)19-11(2)12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,21H,5-7,9H2,1-2H3,(H,19,22)
InChIKeyDBZIKQOXDDTIOG-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide

N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide (PubChem CID 86795824) has the molecular formula C16H22ClFN2O3 and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
PubChem CID86795824
Molecular FormulaC16H22ClFN2O3
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H22ClFN2O3/c1-10(21)7-13-9-23-6-5-20(13)16(22)19-11(2)12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,21H,5-7,9H2,1-2H3,(H,19,22)
InChIKeyDBZIKQOXDDTIOG-UHFFFAOYSA-N
XLogP2.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide (CID 86795824) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The InChIKey is DBZIKQOXDDTIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3/c1-10(21)7-13-9-23-6-5-20(13)16(22)19-11(2)12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,21H,5-7,9H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide is sourced from PubChem (CID 86795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).