4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H21ClN2O3 — CID 114845828

IUPAC4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cc(Cl)ccc1CO
InChIInChI=1S/C15H21ClN2O3/c1-10(2)17-15(20)14-9-21-6-5-18(14)13-7-12(16)4-3-11(13)8-19/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyILILKTCDFAKBQF-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.56
Rot. Bonds4

About 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 114845828) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID114845828
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cc(Cl)ccc1CO
InChIInChI=1S/C15H21ClN2O3/c1-10(2)17-15(20)14-9-21-6-5-18(14)13-7-12(16)4-3-11(13)8-19/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyILILKTCDFAKBQF-UHFFFAOYSA-N
XLogP1.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 114845828) is 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1cc(Cl)ccc1CO.
What is the InChIKey of 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is ILILKTCDFAKBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10(2)17-15(20)14-9-21-6-5-18(14)13-7-12(16)4-3-11(13)8-19/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 114845828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).