(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide

C20H17Cl2N3O2 — CID 47789670

IUPAC(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-5-3-4-15(20(16)22)8-9-19(26)24-17-6-1-2-7-18(17)27-13-12-25-11-10-23-14-25/h1-11,14H,12-13H2,(H,24,26)/b9-8+
InChIKeyFDLRIIHTWZAUQG-CMDGGOBGSA-N
MW402.28 g/mol
LogP4.92
Rot. Bonds7

About (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide (PubChem CID 47789670) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
PubChem CID47789670
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-5-3-4-15(20(16)22)8-9-19(26)24-17-6-1-2-7-18(17)27-13-12-25-11-10-23-14-25/h1-11,14H,12-13H2,(H,24,26)/b9-8+
InChIKeyFDLRIIHTWZAUQG-CMDGGOBGSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 47789771
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 51094332
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 38112276
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide (CID 47789670) is (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is FDLRIIHTWZAUQG-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-16-5-3-4-15(20(16)22)8-9-19(26)24-17-6-1-2-7-18(17)27-13-12-25-11-10-23-14-25/h1-11,14H,12-13H2,(H,24,26)/b9-8+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 402.28 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 47789670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).