(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide

C17H17ClN2O2 — CID 7406865

IUPAC(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-7-16(20-9-1-2-10-20)15(12-13)19-17(21)8-6-14-4-3-11-22-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)/b8-6+
InChIKeyNUOJCXVOGAFQOM-SOFGYWHQSA-N
MW316.79 g/mol
LogP4.19
Rot. Bonds4

About (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 7406865) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID7406865
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-7-16(20-9-1-2-10-20)15(12-13)19-17(21)8-6-14-4-3-11-22-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)/b8-6+
InChIKeyNUOJCXVOGAFQOM-SOFGYWHQSA-N
XLogP4.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.19
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-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 1280315
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597489
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 17117731
(E)-3-(furan-2-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 6110387
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 3977033
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46689489

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 7406865) is (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is NUOJCXVOGAFQOM-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-5-7-16(20-9-1-2-10-20)15(12-13)19-17(21)8-6-14-4-3-11-22-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)/b8-6+.
What are the key properties of (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 316.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7406865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).