(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide

C16H14ClNO2 — CID 78783784

IUPAC(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(O)c2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-5-6-12(9-15(11)17)7-8-16(20)18-13-3-2-4-14(19)10-13/h2-10,19H,1H3,(H,18,20)/b8-7+
InChIKeyQYDFAPXYVFOCQY-BQYQJAHWSA-N
MW287.75 g/mol
LogP4.01
Rot. Bonds3

About (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide

(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 78783784) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
PubChem CID78783784
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(O)c2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-5-6-12(9-15(11)17)7-8-16(20)18-13-3-2-4-14(19)10-13/h2-10,19H,1H3,(H,18,20)/b8-7+
InChIKeyQYDFAPXYVFOCQY-BQYQJAHWSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(3-chloro-4-methylphenyl)-N-[4-(cyanomethyl)phenyl]prop-2-enamide
CID 26375311
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide (CID 78783784) is (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(O)c2)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is QYDFAPXYVFOCQY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-5-6-12(9-15(11)17)7-8-16(20)18-13-3-2-4-14(19)10-13/h2-10,19H,1H3,(H,18,20)/b8-7+.
What are the key properties of (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide?
(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 78783784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).