(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

C18H19ClN2O2 — CID 46485503

IUPAC(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-21(2)18-15(19)5-4-6-16(18)20-17(22)12-9-13-7-10-14(23-3)11-8-13/h4-12H,1-3H3,(H,20,22)/b12-9+
InChIKeyZFSNYNOOMYFRDE-FMIVXFBMSA-N
MW330.82 g/mol
LogP4.07
Rot. Bonds5

About (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 46485503) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID46485503
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-21(2)18-15(19)5-4-6-16(18)20-17(22)12-9-13-7-10-14(23-3)11-8-13/h4-12H,1-3H3,(H,20,22)/b12-9+
InChIKeyZFSNYNOOMYFRDE-FMIVXFBMSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.07
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)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55972471
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
N-[(2-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920789
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761245
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 46485503) is (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2N(C)C)cc1.
What is the InChIKey of (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is ZFSNYNOOMYFRDE-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21(2)18-15(19)5-4-6-16(18)20-17(22)12-9-13-7-10-14(23-3)11-8-13/h4-12H,1-3H3,(H,20,22)/b12-9+.
What are the key properties of (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 330.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46485503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).