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

C15H10ClF2NO2 — CID 67337772

IUPACN-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(O)c1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NO2/c16-10-2-1-3-11(8-10)19-13(20)7-5-9-4-6-12(17)15(21)14(9)18/h1-8,21H,(H,19,20)
InChIKeyMCPRXSHVOVRGES-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.98
Rot. Bonds3

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

N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide (PubChem CID 67337772) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide
PubChem CID67337772
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC NameN-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(O)c1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NO2/c16-10-2-1-3-11(8-10)19-13(20)7-5-9-4-6-12(17)15(21)14(9)18/h1-8,21H,(H,19,20)
InChIKeyMCPRXSHVOVRGES-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.98
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

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
(E)-3-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)prop-2-enamide
CID 7733875
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide (CID 67337772) is N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide is O=C(C=Cc1ccc(F)c(O)c1F)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide?
The InChIKey is MCPRXSHVOVRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c16-10-2-1-3-11(8-10)19-13(20)7-5-9-4-6-12(17)15(21)14(9)18/h1-8,21H,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide?
N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide has a molecular weight of 309.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2,4-difluoro-3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 67337772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).