4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile

C13H14ClN3O2 — CID 60723145

IUPAC4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClN3O2/c14-11-2-1-10(8-15)12(7-11)16-9-13(18)17-3-5-19-6-4-17/h1-2,7,16H,3-6,9H2
InChIKeyNPFFRIACFRLKRM-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.48
Rot. Bonds3

About 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile

4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile (PubChem CID 60723145) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
PubChem CID60723145
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClN3O2/c14-11-2-1-10(8-15)12(7-11)16-9-13(18)17-3-5-19-6-4-17/h1-2,7,16H,3-6,9H2
InChIKeyNPFFRIACFRLKRM-UHFFFAOYSA-N
XLogP1.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
4-[(5-chloro-2-cyanoanilino)methyl]oxane-4-carboxamide
CID 122138597
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
4-(5-chloro-2-cyanoanilino)oxane-4-carboxylic acid
CID 115292193
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile (CID 60723145) is 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile is N#Cc1ccc(Cl)cc1NCC(=O)N1CCOCC1.
What is the InChIKey of 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile?
The InChIKey is NPFFRIACFRLKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-11-2-1-10(8-15)12(7-11)16-9-13(18)17-3-5-19-6-4-17/h1-2,7,16H,3-6,9H2.
What are the key properties of 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile?
4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile has a molecular weight of 279.73 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile is sourced from PubChem (CID 60723145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).