3-[3-(2-methylprop-2-enyl)phenyl]benzamide

C17H17NO — CID 143169964

IUPAC3-[3-(2-methylprop-2-enyl)phenyl]benzamide
SMILESC=C(C)Cc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H17NO/c1-12(2)9-13-5-3-6-14(10-13)15-7-4-8-16(11-15)17(18)19/h3-8,10-11H,1,9H2,2H3,(H2,18,19)
InChIKeyVXAQDHHMQBYEOP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.57
Rot. Bonds4

About 3-[3-(2-methylprop-2-enyl)phenyl]benzamide

3-[3-(2-methylprop-2-enyl)phenyl]benzamide (PubChem CID 143169964) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[3-(2-methylprop-2-enyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-(2-methylprop-2-enyl)phenyl]benzamide
PubChem CID143169964
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[3-(2-methylprop-2-enyl)phenyl]benzamide
SMILESC=C(C)Cc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H17NO/c1-12(2)9-13-5-3-6-14(10-13)15-7-4-8-16(11-15)17(18)19/h3-8,10-11H,1,9H2,2H3,(H2,18,19)
InChIKeyVXAQDHHMQBYEOP-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
CID 173127804
4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol
CID 137446435
4-(3-ethylphenyl)benzamide
CID 54454087
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
CID 70366879
3-(2-methylprop-2-enyl)phenol
CID 91657296
3-phenylbenzamide;phosphoric acid
CID 130454344
2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-(sulfanylmethyl)benzamide
CID 118350806

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylprop-2-enyl)phenyl]benzamide?
The IUPAC name of 3-[3-(2-methylprop-2-enyl)phenyl]benzamide (CID 143169964) is 3-[3-(2-methylprop-2-enyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-(2-methylprop-2-enyl)phenyl]benzamide?
The canonical SMILES for 3-[3-(2-methylprop-2-enyl)phenyl]benzamide is C=C(C)Cc1cccc(-c2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[3-(2-methylprop-2-enyl)phenyl]benzamide?
The InChIKey is VXAQDHHMQBYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12(2)9-13-5-3-6-14(10-13)15-7-4-8-16(11-15)17(18)19/h3-8,10-11H,1,9H2,2H3,(H2,18,19).
What are the key properties of 3-[3-(2-methylprop-2-enyl)phenyl]benzamide?
3-[3-(2-methylprop-2-enyl)phenyl]benzamide has a molecular weight of 251.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylprop-2-enyl)phenyl]benzamide is sourced from PubChem (CID 143169964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).