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

C15H20BrFN2O2 — CID 83105321

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)9-11-3-4-12(16)8-13(11)17/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyHCABYMFTPQMIGY-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.32
Rot. Bonds5

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

4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83105321) 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-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83105321
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)9-11-3-4-12(16)8-13(11)17/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,18,20)
InChIKeyHCABYMFTPQMIGY-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 4884814
(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
CID 45486398
(2S)-N-benzyl-2-[(2-bromoacetyl)amino]-3-methoxypropanamide
CID 11110279
(2R)-N-benzyl-2-[(2-bromoacetyl)amino]-3-methoxypropanamide
CID 11782436
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-methoxypropanamide
CID 45486446
(2R)-2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 9921532
(2R)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methoxypropanamide
CID 9943301
2-acetamido-N-benzyl-3-ethoxypropanamide
CID 10264782
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide
CID 11499935
Lacosamide Impurity 35
CID 44315500
N'-[2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethyl]-N-methyloxamide
CID 1598884
(2R)-2-acetamido-N-benzyl-3-methoxy-N-methylpropanamide
CID 68263999

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide (CID 83105321) is 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is HCABYMFTPQMIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-2-5-18-15(20)14-10-21-7-6-19(14)9-11-3-4-12(16)8-13(11)17/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide?
4-[(4-bromo-2-fluorophenyl)methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 2.32, 5 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-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83105321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).