3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide

C17H16ClNO2 — CID 30155712

IUPAC3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h2-9,11H,1,10,12H2,(H,19,20)
InChIKeyWYMYLSWUSKMRNZ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.83
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide

3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide (PubChem CID 30155712) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
PubChem CID30155712
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h2-9,11H,1,10,12H2,(H,19,20)
InChIKeyWYMYLSWUSKMRNZ-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 100749292
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide (CID 30155712) is 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide?
The InChIKey is WYMYLSWUSKMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h2-9,11H,1,10,12H2,(H,19,20).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide?
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide has a molecular weight of 301.77 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide is sourced from PubChem (CID 30155712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).