(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

C13H16BrFN2O2 — CID 62814552

IUPAC(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)c(F)cc2Br)CCO1
InChIInChI=1S/C13H16BrFN2O2/c1-2-8-7-17(3-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3
InChIKeyBPTZIXZSSAGCEI-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.42
Rot. Bonds2

About (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 62814552) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID62814552
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)c(F)cc2Br)CCO1
InChIInChI=1S/C13H16BrFN2O2/c1-2-8-7-17(3-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3
InChIKeyBPTZIXZSSAGCEI-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
(2-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
(4-ethylmorpholin-2-yl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 79171638
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(5-amino-2-bromo-4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62831061
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156469
(5-amino-2-bromo-4-fluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168386
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (CID 62814552) is (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc(N)c(F)cc2Br)CCO1.
What is the InChIKey of (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is BPTZIXZSSAGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-2-8-7-17(3-4-19-8)13(18)9-5-12(16)11(15)6-10(9)14/h5-6,8H,2-4,7,16H2,1H3.
What are the key properties of (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 331.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62814552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).