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

C20H19ClN2O3 — CID 55675011

IUPAC(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1N1CCCC1=O
InChIInChI=1S/C20H19ClN2O3/c1-26-18-9-8-16(13-17(18)23-11-3-6-20(23)25)22-19(24)10-7-14-4-2-5-15(21)12-14/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,24)/b10-7+
InChIKeyLDQNUIVGFKCBEI-JXMROGBWSA-N
MW370.84 g/mol
LogP4.13
Rot. Bonds5

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

(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 55675011) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID55675011
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1N1CCCC1=O
InChIInChI=1S/C20H19ClN2O3/c1-26-18-9-8-16(13-17(18)23-11-3-6-20(23)25)22-19(24)10-7-14-4-2-5-15(21)12-14/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,22,24)/b10-7+
InChIKeyLDQNUIVGFKCBEI-JXMROGBWSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.13
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)-3-(4-chloro-3-nitrophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55674794
(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 51317965
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17450171
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24613482
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 76906542
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955538
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 55675011) is (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1N1CCCC1=O.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is LDQNUIVGFKCBEI-JXMROGBWSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-26-18-9-8-16(13-17(18)23-11-3-6-20(23)25)22-19(24)10-7-14-4-2-5-15(21)12-14/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-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 370.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55675011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).