4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile

C12H10Cl2N2O2 — CID 78945716

IUPAC4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-3-1-2-9(11(10)14)12(17)16-4-5-18-8(6-15)7-16/h1-3,8H,4-5,7H2
InChIKeyTVVKLBGBAAESBD-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.36
Rot. Bonds1

About 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile

4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile (PubChem CID 78945716) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
PubChem CID78945716
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-3-1-2-9(11(10)14)12(17)16-4-5-18-8(6-15)7-16/h1-3,8H,4-5,7H2
InChIKeyTVVKLBGBAAESBD-UHFFFAOYSA-N
XLogP2.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
4-(2-chloro-4-nitrobenzoyl)morpholine-2-carbonitrile
CID 78945982
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
4-(2-amino-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115678992
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile (CID 78945716) is 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile?
The InChIKey is TVVKLBGBAAESBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-10-3-1-2-9(11(10)14)12(17)16-4-5-18-8(6-15)7-16/h1-3,8H,4-5,7H2.
What are the key properties of 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile?
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile has a molecular weight of 285.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).