2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile

C19H18N2O2 — CID 24724674

IUPAC2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H18N2O2/c20-13-17-5-1-2-7-18(17)19(22)16-6-3-4-15(12-16)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2
InChIKeyBXSALFVOYDMJFY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds4

About 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile

2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile (PubChem CID 24724674) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
PubChem CID24724674
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H18N2O2/c20-13-17-5-1-2-7-18(17)19(22)16-6-3-4-15(12-16)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2
InChIKeyBXSALFVOYDMJFY-UHFFFAOYSA-N
XLogP2.62
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile (CID 24724674) is 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile is N#Cc1ccccc1C(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
The InChIKey is BXSALFVOYDMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-17-5-1-2-7-18(17)19(22)16-6-3-4-15(12-16)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2.
What are the key properties of 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile?
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile is sourced from PubChem (CID 24724674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).