5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide

C16H14ClNO2 — CID 27266848

IUPAC5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OC/C=C/c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-8-9-15(14(11-13)16(18)19)20-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19)/b7-4+
InChIKeyWAHVRLMVTTVGMD-QPJJXVBHSA-N
MW287.75 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide

5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide (PubChem CID 27266848) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
PubChem CID27266848
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OC/C=C/c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-8-9-15(14(11-13)16(18)19)20-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19)/b7-4+
InChIKeyWAHVRLMVTTVGMD-QPJJXVBHSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
CID 78930104
5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide
CID 141125066
4-chloro-2-[(E)-2-phenylethenyl]benzamide
CID 10106537
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
3-bromo-4-[(E)-3-phenylprop-2-enoxy]benzoic acid
CID 82801750
2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
CID 64550004
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide?
The IUPAC name of 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide (CID 27266848) is 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide?
The canonical SMILES for 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide is NC(=O)c1cc(Cl)ccc1OC/C=C/c1ccccc1.
What is the InChIKey of 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide?
The InChIKey is WAHVRLMVTTVGMD-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-8-9-15(14(11-13)16(18)19)20-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,18,19)/b7-4+.
What are the key properties of 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide?
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide is sourced from PubChem (CID 27266848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).