(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

C15H10Cl3NO2 — CID 82880971

IUPAC(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO2/c16-10-4-1-9(2-5-10)3-6-14(20)19-11-7-12(17)15(21)13(18)8-11/h1-8,21H,(H,19,20)/b6-3+
InChIKeyYKTLMFUVVFSENG-ZZXKWVIFSA-N
MW342.61 g/mol
LogP5.00
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide (PubChem CID 82880971) has the molecular formula C15H10Cl3NO2 and a molecular weight of 342.61 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
PubChem CID82880971
Molecular FormulaC15H10Cl3NO2
Molecular Weight342.61 g/mol
Exact Mass340.98
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO2/c16-10-4-1-9(2-5-10)3-6-14(20)19-11-7-12(17)15(21)13(18)8-11/h1-8,21H,(H,19,20)/b6-3+
InChIKeyYKTLMFUVVFSENG-ZZXKWVIFSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28677673
(E)-3-(4-chlorophenyl)-N-(4-iodo-3,5-dimethylphenyl)prop-2-enamide
CID 17274650
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide (CID 82880971) is (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is YKTLMFUVVFSENG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H10Cl3NO2/c16-10-4-1-9(2-5-10)3-6-14(20)19-11-7-12(17)15(21)13(18)8-11/h1-8,21H,(H,19,20)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 342.61 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 82880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).