N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

C16H13FN2O2 — CID 7380729

IUPACN-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13FN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-
InChIKeyQHZNTMUTGRERQP-UVTDQMKNSA-N
MW284.29 g/mol
LogP2.08
Rot. Bonds4

About N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 7380729) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID7380729
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13FN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-
InChIKeyQHZNTMUTGRERQP-UVTDQMKNSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
N-[(E)-3-amino-1-[4-(2-bromophenoxy)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 22148222
N-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]benzamide;5-fluoro-3-imino-1H-indol-2-one
CID 143034690
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
N-[(E)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5435556
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413
ethyl 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoate
CID 6509520
N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 5062055
N-[(E)-1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6260919
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891645

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 7380729) is N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is QHZNTMUTGRERQP-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-.
What are the key properties of N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 7380729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).