4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile

C12H10BrClN2O2 — CID 78945745

IUPAC4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Br)ccc2Cl)CCO1
InChIInChI=1S/C12H10BrClN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyPVPLHRAREMUJPR-UHFFFAOYSA-N
MW329.58 g/mol
LogP2.47
Rot. Bonds1

About 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile

4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile (PubChem CID 78945745) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
PubChem CID78945745
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc(Br)ccc2Cl)CCO1
InChIInChI=1S/C12H10BrClN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyPVPLHRAREMUJPR-UHFFFAOYSA-N
XLogP2.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbothioamide
CID 79674231
4-(2-chloro-4-nitrobenzoyl)morpholine-2-carbonitrile
CID 78945982
4-(2,4-dihydroxybenzoyl)morpholine-2-carbonitrile
CID 103892457
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile (CID 78945745) is 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc(Br)ccc2Cl)CCO1.
What is the InChIKey of 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile?
The InChIKey is PVPLHRAREMUJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c13-8-1-2-11(14)10(5-8)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2.
What are the key properties of 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile?
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile has a molecular weight of 329.58 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).