(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide

C18H19ClN2O3 — CID 8960409

IUPAC(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(18(23)9-8-15-5-4-10-24-15)12-17(22)20-16-11-14(19)7-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)/b9-8+
InChIKeyCPCWJNAGAWUUIP-CMDGGOBGSA-N
MW346.81 g/mol
LogP3.74
Rot. Bonds6

About (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 8960409) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
PubChem CID8960409
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(18(23)9-8-15-5-4-10-24-15)12-17(22)20-16-11-14(19)7-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)/b9-8+
InChIKeyCPCWJNAGAWUUIP-CMDGGOBGSA-N
XLogP3.74
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 ≤ 53.74
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)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 8960410
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
CID 26730638
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
(3R)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7761065
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide (CID 8960409) is (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CPCWJNAGAWUUIP-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-21(18(23)9-8-15-5-4-10-24-15)12-17(22)20-16-11-14(19)7-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)/b9-8+.
What are the key properties of (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 346.81 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 8960409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).