N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide

C14H18BrFN2O2 — CID 119790287

IUPACN-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCc1ccc(Br)cc1F)C1COCCN1
InChIInChI=1S/C14H18BrFN2O2/c15-11-4-3-10(12(16)8-11)2-1-5-18-14(19)13-9-20-7-6-17-13/h3-4,8,13,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyXNNNNZWSPZOWHC-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.63
Rot. Bonds5

About N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide

N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide (PubChem CID 119790287) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide
PubChem CID119790287
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCc1ccc(Br)cc1F)C1COCCN1
InChIInChI=1S/C14H18BrFN2O2/c15-11-4-3-10(12(16)8-11)2-1-5-18-14(19)13-9-20-7-6-17-13/h3-4,8,13,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyXNNNNZWSPZOWHC-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 669924
(2R)-2-acetamido-N-[(4-bromophenyl)methyl]-3-methoxypropanamide
CID 45486398
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 56677292
N-[2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
CID 119753052
N-[(3-bromo-5-fluorophenyl)methyl]morpholine-3-carboxamide
CID 121550409
tert-butyl (3R)-3-[(4-bromo-3,5-difluorophenyl)methylcarbamoyl]morpholine-4-carboxylate
CID 170764345
(2R,3S)-3-(4-bromo-3-fluorophenyl)-2-[(2-methoxyacetyl)amino]butanamide
CID 178264087
2-[2-(4-Fluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 43083705
2-[2-(2-Fluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 43084408
2-[2-(3-Fluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 43401432
N-[2-(4-fluorophenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 47103101
2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51239949

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide (CID 119790287) is N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide is O=C(NCCCc1ccc(Br)cc1F)C1COCCN1.
What is the InChIKey of N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide?
The InChIKey is XNNNNZWSPZOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-11-4-3-10(12(16)8-11)2-1-5-18-14(19)13-9-20-7-6-17-13/h3-4,8,13,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide?
N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-fluorophenyl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 119790287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).