(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

C17H16ClNO3 — CID 91685134

IUPAC(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-16-10-12(5-9-17(19)20)4-8-15(16)22-11-13-2-6-14(18)7-3-13/h2-10H,11H2,1H3,(H2,19,20)/b9-5+
InChIKeyIRGPAWDZYNQBRU-WEVVVXLNSA-N
MW317.77 g/mol
LogP3.43
Rot. Bonds6

About (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 91685134) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID91685134
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-16-10-12(5-9-17(19)20)4-8-15(16)22-11-13-2-6-14(18)7-3-13/h2-10H,11H2,1H3,(H2,19,20)/b9-5+
InChIKeyIRGPAWDZYNQBRU-WEVVVXLNSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.43
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

(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 91690018
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enamide
CID 91685137
(4-acetylphenyl) (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 19185071
(Z)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877280
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
methyl (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoate
CID 91689933
N-(3-acetylphenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 1182771
N-(2-bromophenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 4283730
3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2788733
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
methyl 5-chloro-4-[3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoylamino]-2-methoxybenzoate
CID 4691963

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 91685134) is (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is IRGPAWDZYNQBRU-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-16-10-12(5-9-17(19)20)4-8-15(16)22-11-13-2-6-14(18)7-3-13/h2-10H,11H2,1H3,(H2,19,20)/b9-5+.
What are the key properties of (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 317.77 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 91685134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).