(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide

C20H17ClFN3O2 — CID 18274526

IUPAC(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-16-3-6-19(25-7-9-27-10-8-25)18(12-16)24-20(26)15(13-23)11-14-1-4-17(22)5-2-14/h1-6,11-12H,7-10H2,(H,24,26)/b15-11+
InChIKeyBFXKLXHIJGGONV-RVDMUPIBSA-N
MW385.83 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 18274526) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
PubChem CID18274526
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-16-3-6-19(25-7-9-27-10-8-25)18(12-16)24-20(26)15(13-23)11-14-1-4-17(22)5-2-14/h1-6,11-12H,7-10H2,(H,24,26)/b15-11+
InChIKeyBFXKLXHIJGGONV-RVDMUPIBSA-N
XLogP3.86
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide
CID 18275991
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 46518828
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 18207006
N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 74274310
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247473
(E)-N-(4-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2387031
2-cyano-N-(2,5-dichlorophenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 75900456
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 6183685
2-cyano-N-(2,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 4565061
N-(4-chloro-2-nitrophenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
CID 3134597
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126236564

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide (CID 18274526) is (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide is N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is BFXKLXHIJGGONV-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-16-3-6-19(25-7-9-27-10-8-25)18(12-16)24-20(26)15(13-23)11-14-1-4-17(22)5-2-14/h1-6,11-12H,7-10H2,(H,24,26)/b15-11+.
What are the key properties of (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 385.83 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 18274526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).