(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide

C21H20Cl2N2O3 — CID 94642545

IUPAC(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O3/c1-14-15(21(27)25-10-12-28-13-11-25)4-2-7-19(14)24-20(26)9-8-16-17(22)5-3-6-18(16)23/h2-9H,10-13H2,1H3,(H,24,26)/b9-8+
InChIKeyFJUABICXWQYSFU-CMDGGOBGSA-N
MW419.31 g/mol
LogP4.43
Rot. Bonds4

About (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide (PubChem CID 94642545) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
PubChem CID94642545
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O3/c1-14-15(21(27)25-10-12-28-13-11-25)4-2-7-19(14)24-20(26)9-8-16-17(22)5-3-6-18(16)23/h2-9H,10-13H2,1H3,(H,24,26)/b9-8+
InChIKeyFJUABICXWQYSFU-CMDGGOBGSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.43
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

1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[2-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 78846173
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53287605
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide (CID 94642545) is (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide is Cc1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)cccc1C(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The InChIKey is FJUABICXWQYSFU-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-14-15(21(27)25-10-12-28-13-11-25)4-2-7-19(14)24-20(26)9-8-16-17(22)5-3-6-18(16)23/h2-9H,10-13H2,1H3,(H,24,26)/b9-8+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide has a molecular weight of 419.31 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 94642545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).