N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

C16H20ClN3O2 — CID 46631115

IUPACN-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-10-8-20(9-11(2)22-10)12(3)16(21)19-14-5-4-13(7-18)15(17)6-14/h4-6,10-12H,8-9H2,1-3H3,(H,19,21)
InChIKeyKEMIDFRNYBPBJC-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.65
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (PubChem CID 46631115) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
PubChem CID46631115
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)O1
InChIInChI=1S/C16H20ClN3O2/c1-10-8-20(9-11(2)22-10)12(3)16(21)19-14-5-4-13(7-18)15(17)6-14/h4-6,10-12H,8-9H2,1-3H3,(H,19,21)
InChIKeyKEMIDFRNYBPBJC-UHFFFAOYSA-N
XLogP2.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114068
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
ethyl 4-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431235
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (CID 46631115) is N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)O1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The InChIKey is KEMIDFRNYBPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10-8-20(9-11(2)22-10)12(3)16(21)19-14-5-4-13(7-18)15(17)6-14/h4-6,10-12H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide has a molecular weight of 321.81 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 46631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).