4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C18H19ClN2O3 — CID 3708482

IUPAC4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCN(CC)C(=O)C(=Cc1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(4-2)18(23)16(12-15-6-5-11-24-15)20-17(22)13-7-9-14(19)10-8-13/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyKZBUKBLKFWLSJL-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.57
Rot. Bonds6

About 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 3708482) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID3708482
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCN(CC)C(=O)C(=Cc1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(4-2)18(23)16(12-15-6-5-11-24-15)20-17(22)13-7-9-14(19)10-8-13/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyKZBUKBLKFWLSJL-UHFFFAOYSA-N
XLogP3.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
CID 7137594
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5226486
4-chloro-N-[(E)-3-(4-ethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 143030474
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
4-chloro-N-[(Z)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2302592
4-butoxy-N-[1-(4-chlorophenyl)-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2907608
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782
N-[(Z)-3-[2-(4-chlorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100545825
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599458
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 3708482) is 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is CCN(CC)C(=O)C(=Cc1ccco1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is KZBUKBLKFWLSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-21(4-2)18(23)16(12-15-6-5-11-24-15)20-17(22)13-7-9-14(19)10-8-13/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3708482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).