(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

C20H21ClN2O2 — CID 1493877

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O2/c21-18-6-1-16(2-7-18)5-10-20(24)22-19-8-3-17(4-9-19)15-23-11-13-25-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+
InChIKeyNRQDNDCTDFIMNZ-BJMVGYQFSA-N
MW356.85 g/mol
LogP3.82
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (PubChem CID 1493877) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
PubChem CID1493877
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O2/c21-18-6-1-16(2-7-18)5-10-20(24)22-19-8-3-17(4-9-19)15-23-11-13-25-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+
InChIKeyNRQDNDCTDFIMNZ-BJMVGYQFSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide (CID 1493877) is (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is NRQDNDCTDFIMNZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-18-6-1-16(2-7-18)5-10-20(24)22-19-8-3-17(4-9-19)15-23-11-13-25-14-12-23/h1-10H,11-15H2,(H,22,24)/b10-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 356.85 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1493877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).