N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

C24H28FN3O3 — CID 2891523

IUPACN-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-3-7-20(8-4-18)23(29)27-22(17-19-5-9-21(25)10-6-19)24(30)26-11-2-12-28-13-15-31-16-14-28/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H,27,29)/b22-17-
InChIKeyXIHBIUUFLQQPKT-XLNRJJMWSA-N
MW425.50 g/mol
LogP2.74
Rot. Bonds8

About N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 2891523) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
PubChem CID2891523
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-3-7-20(8-4-18)23(29)27-22(17-19-5-9-21(25)10-6-19)24(30)26-11-2-12-28-13-15-31-16-14-28/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H,27,29)/b22-17-
InChIKeyXIHBIUUFLQQPKT-XLNRJJMWSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
2-fluoro-N-(2-{[2-(morpholin-4-yl)ethyl]carbamoyl}phenyl)benzamide
CID 24824960
N-[2-(4-Fluoro-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 1724396
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 570439
N-[3-(morpholin-4-yl)propyl]-4-(propan-2-yl)benzamide
CID 2164117
Benzamide, N-(2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-, (E)-
CID 781134
Benzamide, N-(2-(2-chlorophenyl)-1-(4-morpholinylcarbonyl)ethenyl)-, (E)-
CID 1711976
N-[(1E)-3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5391769
1-[2-(Benzoylamino)-3-phenylacryloyl]-4-piperidinecarboxamide
CID 1041227

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (CID 2891523) is N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is XIHBIUUFLQQPKT-XLNRJJMWSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-18-3-7-20(8-4-18)23(29)27-22(17-19-5-9-21(25)10-6-19)24(30)26-11-2-12-28-13-15-31-16-14-28/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H,27,29)/b22-17-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 425.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 2891523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).