N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide

C16H14ClNO2 — CID 44523157

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h2-10,16,20H,1H2,(H,18,19)
InChIKeyZGAFLPZPTLIDQO-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.55
Rot. Bonds4

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide (PubChem CID 44523157) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
PubChem CID44523157
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h2-10,16,20H,1H2,(H,18,19)
InChIKeyZGAFLPZPTLIDQO-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide (CID 44523157) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
The InChIKey is ZGAFLPZPTLIDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h2-10,16,20H,1H2,(H,18,19).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 44523157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).