(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide

C21H22Cl2N2O4 — CID 17358373

IUPAC(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-27-16-4-5-19(25-7-9-29-10-8-25)18(13-16)24-20(26)6-3-14-11-15(22)12-17(23)21(14)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)/b6-3+
InChIKeyZNCUTPZXKBPBOV-ZZXKWVIFSA-N
MW437.32 g/mol
LogP4.50
Rot. Bonds6

About (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 17358373) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID17358373
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-27-16-4-5-19(25-7-9-29-10-8-25)18(13-16)24-20(26)6-3-14-11-15(22)12-17(23)21(14)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)/b6-3+
InChIKeyZNCUTPZXKBPBOV-ZZXKWVIFSA-N
XLogP4.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dichloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3543434
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 4008558
(E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7551849
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 4619915
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1397404
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide (CID 17358373) is (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide is COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1.
What is the InChIKey of (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is ZNCUTPZXKBPBOV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c1-27-16-4-5-19(25-7-9-29-10-8-25)18(13-16)24-20(26)6-3-14-11-15(22)12-17(23)21(14)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)/b6-3+.
What are the key properties of (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 437.32 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 17358373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).