N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide

C17H16ClNO2 — CID 139691926

IUPACN-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC/C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-13(20)19-16-7-9-17(10-8-16)21-12-15(18)11-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20)/b15-11+
InChIKeyZQJPDJPETVBVHH-RVDMUPIBSA-N
MW301.77 g/mol
LogP4.30
Rot. Bonds5

About N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide

N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide (PubChem CID 139691926) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide
PubChem CID139691926
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC/C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-13(20)19-16-7-9-17(10-8-16)21-12-15(18)11-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20)/b15-11+
InChIKeyZQJPDJPETVBVHH-RVDMUPIBSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide (CID 139691926) is N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC/C(Cl)=C\c2ccccc2)cc1.
What is the InChIKey of N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide?
The InChIKey is ZQJPDJPETVBVHH-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-13(20)19-16-7-9-17(10-8-16)21-12-15(18)11-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20)/b15-11+.
What are the key properties of N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide?
N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide has a molecular weight of 301.77 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide is sourced from PubChem (CID 139691926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).