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

C20H15ClN2O3 — CID 2945780

IUPACN-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-8-4-9-16(13-15)22-19(24)17(12-14-6-2-1-3-7-14)23-20(25)18-10-5-11-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyGRYJRATWWIZJKC-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.34
Rot. Bonds5

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

N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2945780) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID2945780
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-8-4-9-16(13-15)22-19(24)17(12-14-6-2-1-3-7-14)23-20(25)18-10-5-11-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyGRYJRATWWIZJKC-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-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 4585499
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)-1-(4-bromophenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5441805
3-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoate
CID 7454963
N-[(E)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5331919
N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 2885271
N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
CID 2941949
N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670
N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
4-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 2885296

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide (CID 2945780) is N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is O=C(Nc1cccc(Cl)c1)C(=Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is GRYJRATWWIZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-8-4-9-16(13-15)22-19(24)17(12-14-6-2-1-3-7-14)23-20(25)18-10-5-11-26-18/h1-13H,(H,22,24)(H,23,25).
What are the key properties of N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide?
N-[3-(3-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-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2945780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).