3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide

C15H10ClF2NO — CID 75618948

IUPAC3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10ClF2NO/c16-11-4-1-3-10(9-11)7-8-14(20)19-15-12(17)5-2-6-13(15)18/h1-9H,(H,19,20)
InChIKeyWWKYCOOONCTLRC-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.27
Rot. Bonds3

About 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide

3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide (PubChem CID 75618948) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
PubChem CID75618948
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10ClF2NO/c16-11-4-1-3-10(9-11)7-8-14(20)19-15-12(17)5-2-6-13(15)18/h1-9H,(H,19,20)
InChIKeyWWKYCOOONCTLRC-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 897743
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
3-(3-chlorophenyl)-N-cyanoprop-2-enamide
CID 79195183

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide (CID 75618948) is 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1)Nc1c(F)cccc1F.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The InChIKey is WWKYCOOONCTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-11-4-1-3-10(9-11)7-8-14(20)19-15-12(17)5-2-6-13(15)18/h1-9H,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide has a molecular weight of 293.70 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 75618948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).