3-[4-(morpholine-4-carbonyl)anilino]benzonitrile

C18H17N3O2 — CID 151868524

IUPAC3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H17N3O2/c19-13-14-2-1-3-17(12-14)20-16-6-4-15(5-7-16)18(22)21-8-10-23-11-9-21/h1-7,12,20H,8-11H2
InChIKeySMEQTOHFMGHWJU-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.77
Rot. Bonds3

About 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile

3-[4-(morpholine-4-carbonyl)anilino]benzonitrile (PubChem CID 151868524) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
PubChem CID151868524
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H17N3O2/c19-13-14-2-1-3-17(12-14)20-16-6-4-15(5-7-16)18(22)21-8-10-23-11-9-21/h1-7,12,20H,8-11H2
InChIKeySMEQTOHFMGHWJU-UHFFFAOYSA-N
XLogP2.77
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109324521
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
3-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109238710
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
N-(3-cyanophenyl)-1-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075405
4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
CID 110200973
[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 66711226
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile (CID 151868524) is 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile is N#Cc1cccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile?
The InChIKey is SMEQTOHFMGHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-13-14-2-1-3-17(12-14)20-16-6-4-15(5-7-16)18(22)21-8-10-23-11-9-21/h1-7,12,20H,8-11H2.
What are the key properties of 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile?
3-[4-(morpholine-4-carbonyl)anilino]benzonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)anilino]benzonitrile is sourced from PubChem (CID 151868524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).