N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide

C20H15ClN2O3 — CID 4585499

IUPACN-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-8-10-16(11-9-15)22-19(24)17(13-14-5-2-1-3-6-14)23-20(25)18-7-4-12-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyWUHGLPMCOIPIMR-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.34
Rot. Bonds5

About N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide

N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 4585499) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID4585499
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-8-10-16(11-9-15)22-19(24)17(13-14-5-2-1-3-6-14)23-20(25)18-7-4-12-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyWUHGLPMCOIPIMR-UHFFFAOYSA-N
XLogP4.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
N-[(Z)-3-(4-chloroanilino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6511350
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 2885271
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 4553025
N-[(Z)-3-(4-chloroanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831594
methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
CID 1371882
N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442602
N-[(E)-3-(4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442613
N-[(Z)-3-oxo-1-phenyl-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
CID 2196863
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide (CID 4585499) is N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C(=Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is WUHGLPMCOIPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-8-10-16(11-9-15)22-19(24)17(13-14-5-2-1-3-6-14)23-20(25)18-7-4-12-26-18/h1-13H,(H,22,24)(H,23,25).
What are the key properties of N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).