3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

C15H12ClNO2 — CID 3267972

IUPAC3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(18)9-7-13/h1-10,18H,(H,17,19)
InChIKeyZTZPCKUYTMXVHQ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.70
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 3267972) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID3267972
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(18)9-7-13/h1-10,18H,(H,17,19)
InChIKeyZTZPCKUYTMXVHQ-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.70
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

(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(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
(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
CID 82880971
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 3267972) is 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is ZTZPCKUYTMXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(18)9-7-13/h1-10,18H,(H,17,19).
What are the key properties of 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 273.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 3267972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).