3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

C19H19ClN2O2 — CID 878244

IUPAC3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-16-4-1-15(2-5-16)3-10-19(23)21-17-6-8-18(9-7-17)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23)
InChIKeyQJEVIGPXBVNXKE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.83
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 878244) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID878244
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-16-4-1-15(2-5-16)3-10-19(23)21-17-6-8-18(9-7-17)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23)
InChIKeyQJEVIGPXBVNXKE-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 3699776
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 6213128
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
3-(4-chlorophenyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 3484854
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
CID 121141603
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 878244) is 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is QJEVIGPXBVNXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-4-1-15(2-5-16)3-10-19(23)21-17-6-8-18(9-7-17)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 342.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 878244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).