N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C29H22N2O2 — CID 52921462

IUPACN-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C29H22N2O2/c32-28(21-11-5-2-6-12-21)31-27(17-20-9-3-1-4-10-20)29(33)30-24-15-16-26-23(19-24)18-22-13-7-8-14-25(22)26/h1-17,19H,18H2,(H,30,33)(H,31,32)/b27-17+
InChIKeyADJAIQVLWBHRRK-WPWMEQJKSA-N
MW430.51 g/mol
LogP5.67
Rot. Bonds5

About N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 52921462) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID52921462
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC NameN-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)/C(=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C29H22N2O2/c32-28(21-11-5-2-6-12-21)31-27(17-20-9-3-1-4-10-20)29(33)30-24-15-16-26-23(19-24)18-22-13-7-8-14-25(22)26/h1-17,19H,18H2,(H,30,33)(H,31,32)/b27-17+
InChIKeyADJAIQVLWBHRRK-WPWMEQJKSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.67
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

(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
N-[(Z)-3-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-phenylphenyl)prop-1-en-2-yl]benzamide
CID 19301567
N-[(Z)-3-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783646
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285
N-[(Z)-3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831494
N-[(Z)-3-(3-chloro-4-fluoroanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 46496776
N-[(Z)-3-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide
CID 19301693
N-[(Z)-3-(4-chloroanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831594
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[(Z)-3-(4-chloroanilino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6511350
N-[(Z)-3-(4-methylsulfanylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 22783738
N-[(Z)-3-(3-bromoanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831595

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 52921462) is N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)/C(=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is ADJAIQVLWBHRRK-WPWMEQJKSA-N. The full InChI is InChI=1S/C29H22N2O2/c32-28(21-11-5-2-6-12-21)31-27(17-20-9-3-1-4-10-20)29(33)30-24-15-16-26-23(19-24)18-22-13-7-8-14-25(22)26/h1-17,19H,18H2,(H,30,33)(H,31,32)/b27-17+.
What are the key properties of N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(9H-fluoren-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 52921462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).