2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide

C17H15NO3 — CID 174963027

IUPAC2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide
SMILESCc1ccc(C=CC(=O)c2ccc(O)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H15NO3/c1-11-2-4-12(5-3-11)6-8-15(19)13-7-9-16(20)14(10-13)17(18)21/h2-10,20H,1H3,(H2,18,21)
InChIKeyHGQUSUVHQQSINW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.70
Rot. Bonds4

About 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide

2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide (PubChem CID 174963027) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide
PubChem CID174963027
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide
SMILESCc1ccc(C=CC(=O)c2ccc(O)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H15NO3/c1-11-2-4-12(5-3-11)6-8-15(19)13-7-9-16(20)14(10-13)17(18)21/h2-10,20H,1H3,(H2,18,21)
InChIKeyHGQUSUVHQQSINW-UHFFFAOYSA-N
XLogP2.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 9448567
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 15643084
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688
(E)-1-(2-hydroxy-5-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 10733419
2-[(E)-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylideneamino]guanidine
CID 134157104
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54602092

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide?
The IUPAC name of 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide (CID 174963027) is 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide is Cc1ccc(C=CC(=O)c2ccc(O)c(C(N)=O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide?
The InChIKey is HGQUSUVHQQSINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-2-4-12(5-3-11)6-8-15(19)13-7-9-16(20)14(10-13)17(18)21/h2-10,20H,1H3,(H2,18,21).
What are the key properties of 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide?
2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide is sourced from PubChem (CID 174963027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).