4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide

C18H19ClN2O3 — CID 50963271

IUPAC4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1NC(=O)CC
InChIInChI=1S/C18H19ClN2O3/c1-3-9-21(12-14-6-5-10-24-14)18(23)15-8-7-13(19)11-16(15)20-17(22)4-2/h3,5-8,10-11H,1,4,9,12H2,2H3,(H,20,22)
InChIKeyLEOXLPREWMZCBM-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.11
Rot. Bonds7

About 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide

4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide (PubChem CID 50963271) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
PubChem CID50963271
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1NC(=O)CC
InChIInChI=1S/C18H19ClN2O3/c1-3-9-21(12-14-6-5-10-24-14)18(23)15-8-7-13(19)11-16(15)20-17(22)4-2/h3,5-8,10-11H,1,4,9,12H2,2H3,(H,20,22)
InChIKeyLEOXLPREWMZCBM-UHFFFAOYSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-N'-(furan-2-ylmethyl)-N'-prop-2-enylpropanediamide
CID 50967845
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3646630
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3548188
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 50956140
N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9334177
4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide
CID 123907571
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide (CID 50963271) is 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide is C=CCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1NC(=O)CC.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide?
The InChIKey is LEOXLPREWMZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-9-21(12-14-6-5-10-24-14)18(23)15-8-7-13(19)11-16(15)20-17(22)4-2/h3,5-8,10-11H,1,4,9,12H2,2H3,(H,20,22).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide?
4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 50963271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).