(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C20H19FN2O2 — CID 17450171

IUPAC(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1N1CCCC1=O
InChIInChI=1S/C20H19FN2O2/c1-14-12-17(8-9-18(14)23-11-3-6-20(23)25)22-19(24)10-7-15-4-2-5-16(21)13-15/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,24)/b10-7+
InChIKeyXTIUZOBOMBBABI-JXMROGBWSA-N
MW338.38 g/mol
LogP3.91
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 17450171) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID17450171
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1N1CCCC1=O
InChIInChI=1S/C20H19FN2O2/c1-14-12-17(8-9-18(14)23-11-3-6-20(23)25)22-19(24)10-7-15-4-2-5-16(21)13-15/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,24)/b10-7+
InChIKeyXTIUZOBOMBBABI-JXMROGBWSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955361
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
CID 86939695
(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55675011
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24613482
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
(E)-3-(3-chloro-4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8748149
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 17450171) is (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1N1CCCC1=O.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is XTIUZOBOMBBABI-JXMROGBWSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-14-12-17(8-9-18(14)23-11-3-6-20(23)25)22-19(24)10-7-15-4-2-5-16(21)13-15/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,24)/b10-7+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 338.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 17450171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).