4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H20BrFN2O2 — CID 83105335

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-3-4-12(16)7-13(11)17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyDYHQQAILPKULMM-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.31
Rot. Bonds4

About 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83105335) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83105335
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-3-4-12(16)7-13(11)17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyDYHQQAILPKULMM-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83105335) is 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is DYHQQAILPKULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-3-4-12(16)7-13(11)17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83105335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).