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

C15H11ClFNO — CID 875066

IUPACN-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-10H,(H,18,19)
InChIKeyJHNUFKLNIRJLKE-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.13
Rot. Bonds3

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

N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 875066) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID875066
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC NameN-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-10H,(H,18,19)
InChIKeyJHNUFKLNIRJLKE-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.13
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-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-(3-chloro-2-methylsulfinylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75534101
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-chlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
CID 2062475
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 875066) is N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is JHNUFKLNIRJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-13-3-1-2-4-14(13)18-15(19)10-7-11-5-8-12(17)9-6-11/h1-10H,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 275.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 875066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).