N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide

C14H18ClN3O2 — CID 171316160

IUPACN-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide
SMILESCC(=CC(=O)Nc1ccc(Cl)cc1)NN1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-11(17-18-6-8-20-9-7-18)10-14(19)16-13-4-2-12(15)3-5-13/h2-5,10,17H,6-9H2,1H3,(H,16,19)
InChIKeyWEGAXJSQUJIQHX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.02
Rot. Bonds4

About N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide

N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide (PubChem CID 171316160) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide
PubChem CID171316160
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide
SMILESCC(=CC(=O)Nc1ccc(Cl)cc1)NN1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-11(17-18-6-8-20-9-7-18)10-14(19)16-13-4-2-12(15)3-5-13/h2-5,10,17H,6-9H2,1H3,(H,16,19)
InChIKeyWEGAXJSQUJIQHX-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide
CID 134921836
(E)-3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
CID 6346285
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
CID 3626403
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
(E)-3-(4-bromoanilino)-N-(4-bromophenyl)but-2-enamide
CID 134835204
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711692

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide (CID 171316160) is N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide is CC(=CC(=O)Nc1ccc(Cl)cc1)NN1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide?
The InChIKey is WEGAXJSQUJIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-11(17-18-6-8-20-9-7-18)10-14(19)16-13-4-2-12(15)3-5-13/h2-5,10,17H,6-9H2,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide?
N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide has a molecular weight of 295.77 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide is sourced from PubChem (CID 171316160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).