4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide

C19H20BrFN2O3 — CID 175069312

IUPAC4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C19H20BrFN2O3/c20-15-3-1-2-13(8-15)11-26-16-5-4-14(17(21)9-16)10-23-6-7-25-12-18(23)19(22)24/h1-5,8-9,18H,6-7,10-12H2,(H2,22,24)
InChIKeyIUGBCSMXMBKEFQ-UHFFFAOYSA-N
MW423.28 g/mol
LogP2.85
Rot. Bonds6

About 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide

4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide (PubChem CID 175069312) has the molecular formula C19H20BrFN2O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide
PubChem CID175069312
Molecular FormulaC19H20BrFN2O3
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Name4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C19H20BrFN2O3/c20-15-3-1-2-13(8-15)11-26-16-5-4-14(17(21)9-16)10-23-6-7-25-12-18(23)19(22)24/h1-5,8-9,18H,6-7,10-12H2,(H2,22,24)
InChIKeyIUGBCSMXMBKEFQ-UHFFFAOYSA-N
XLogP2.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide (CID 175069312) is 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccc(OCc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide?
The InChIKey is IUGBCSMXMBKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3/c20-15-3-1-2-13(8-15)11-26-16-5-4-14(17(21)9-16)10-23-6-7-25-12-18(23)19(22)24/h1-5,8-9,18H,6-7,10-12H2,(H2,22,24).
What are the key properties of 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide?
4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide has a molecular weight of 423.28 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 175069312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).