N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one

C24H19FN4O3 — CID 143034690

IUPACN-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one
SMILESNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1.[H]/N=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H14N2O2.C8H5FN2O/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13;9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-11H,(H2,17,19)(H,18,20);1-3H,(H2,10,11,12)/b14-11-;
InChIKeyMEIPPORGABMWPV-IRIIKGHASA-N
MW430.44 g/mol
LogP3.09
Rot. Bonds4

About N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one

N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one (PubChem CID 143034690) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one
PubChem CID143034690
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one
SMILESNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1.[H]/N=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H14N2O2.C8H5FN2O/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13;9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-11H,(H2,17,19)(H,18,20);1-3H,(H2,10,11,12)/b14-11-;
InChIKeyMEIPPORGABMWPV-IRIIKGHASA-N
XLogP3.09
TPSA125.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
N-[(E)-3-amino-1-[4-(2-bromophenoxy)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 22148222
N-[(E)-1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6260919
(E)-2-benzamido-3-[4-(2,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 22148069
N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 5062055
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide
CID 2925592
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 13185213
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one?
The IUPAC name of N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one (CID 143034690) is N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one.
What is the SMILES notation for N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one?
The canonical SMILES for N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one is NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1.[H]/N=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one?
The InChIKey is MEIPPORGABMWPV-IRIIKGHASA-N. The full InChI is InChI=1S/C16H14N2O2.C8H5FN2O/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13;9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-11H,(H2,17,19)(H,18,20);1-3H,(H2,10,11,12)/b14-11-;.
What are the key properties of N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one?
N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one has a molecular weight of 430.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one is sourced from PubChem (CID 143034690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).