2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide

C15H12Cl2N2O3 — CID 5403893

IUPAC2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-18-15(21)13(8-10-3-2-6-22-10)19-14(20)11-5-4-9(16)7-12(11)17/h2-8H,1H3,(H,18,21)(H,19,20)/b13-8+
InChIKeySKFQURMXONWQQV-MDWZMJQESA-N
MW339.18 g/mol
LogP3.10
Rot. Bonds4

About 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide

2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5403893) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5403893
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-18-15(21)13(8-10-3-2-6-22-10)19-14(20)11-5-4-9(16)7-12(11)17/h2-8H,1H3,(H,18,21)(H,19,20)/b13-8+
InChIKeySKFQURMXONWQQV-MDWZMJQESA-N
XLogP3.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.10
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

2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130
N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
CID 45069037
N-[3-[(2,4-dichlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4201110
(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
CID 7137594
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134681
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 57382767
2-chloro-N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 1163152
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 5403893) is 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide is CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is SKFQURMXONWQQV-MDWZMJQESA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-18-15(21)13(8-10-3-2-6-22-10)19-14(20)11-5-4-9(16)7-12(11)17/h2-8H,1H3,(H,18,21)(H,19,20)/b13-8+.
What are the key properties of 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 339.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5403893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).