(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide

C20H20ClNO3 — CID 146312382

IUPAC(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC2CCCCO2)c1
InChIInChI=1S/C20H20ClNO3/c21-16-10-7-15(8-11-16)9-12-19(23)22-17-4-3-5-18(14-17)25-20-6-1-2-13-24-20/h3-5,7-12,14,20H,1-2,6,13H2,(H,22,23)/b12-9+
InChIKeyKCLZCYWXEVHXLW-FMIVXFBMSA-N
MW357.84 g/mol
LogP4.90
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide (PubChem CID 146312382) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide
PubChem CID146312382
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC2CCCCO2)c1
InChIInChI=1S/C20H20ClNO3/c21-16-10-7-15(8-11-16)9-12-19(23)22-17-4-3-5-18(14-17)25-20-6-1-2-13-24-20/h3-5,7-12,14,20H,1-2,6,13H2,(H,22,23)/b12-9+
InChIKeyKCLZCYWXEVHXLW-FMIVXFBMSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.90
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)-1-(4-chlorophenyl)-3-[3-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 139234406
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
CID 2318357
methyl 3-[3-(4-chlorophenyl)prop-2-enoylamino]benzoate
CID 692491
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17195491
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
1-[2,5-bis(oxan-2-yloxy)phenyl]-3-phenylprop-2-en-1-one
CID 142670868
1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223486

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide (CID 146312382) is (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC2CCCCO2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide?
The InChIKey is KCLZCYWXEVHXLW-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-16-10-7-15(8-11-16)9-12-19(23)22-17-4-3-5-18(14-17)25-20-6-1-2-13-24-20/h3-5,7-12,14,20H,1-2,6,13H2,(H,22,23)/b12-9+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide has a molecular weight of 357.84 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide is sourced from PubChem (CID 146312382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).