3-[(3-ethenylphenyl)-hydroxymethyl]benzamide

C16H15NO2 — CID 118355740

IUPAC3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
SMILESC=Cc1cccc(C(O)c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H15NO2/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)16(17)19/h2-10,15,18H,1H2,(H2,17,19)
InChIKeyKEUXZYCURRNUDV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.51
Rot. Bonds4

About 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide

3-[(3-ethenylphenyl)-hydroxymethyl]benzamide (PubChem CID 118355740) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide.

Molecular Properties

Compound Name3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
PubChem CID118355740
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
SMILESC=Cc1cccc(C(O)c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H15NO2/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)16(17)19/h2-10,15,18H,1H2,(H2,17,19)
InChIKeyKEUXZYCURRNUDV-UHFFFAOYSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dihydroxymethyl)benzamide
CID 174476205
3-[amino(hydroxy)methyl]benzamide
CID 140561822
1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
CID 101432485
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
CID 70362816
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
3-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171881383
3-(1,2,4-trihydroxybutyl)benzamide
CID 171872426
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
3-prop-1-enylbenzamide
CID 70146317

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide?
The IUPAC name of 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide (CID 118355740) is 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide.
What is the SMILES notation for 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide?
The canonical SMILES for 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide is C=Cc1cccc(C(O)c2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide?
The InChIKey is KEUXZYCURRNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)16(17)19/h2-10,15,18H,1H2,(H2,17,19).
What are the key properties of 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide?
3-[(3-ethenylphenyl)-hydroxymethyl]benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethenylphenyl)-hydroxymethyl]benzamide is sourced from PubChem (CID 118355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).