N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide

C16H11ClF3NO — CID 715676

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyYGEIDAUDBFUCML-UHFFFAOYSA-N
MW325.72 g/mol
LogP5.01
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 715676) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID715676
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyYGEIDAUDBFUCML-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.72
LogP ≤ 55.01
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

(E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 886533
(E)-N-[3-chloro-4-(trifluoromethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863156
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 18863137
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 874240
2-[[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 18863167
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide
CID 18863151
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 4072285
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]prop-2-enamide
CID 46584642
3-(2-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4992698
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693652
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
CID 8523325

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide (CID 715676) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is YGEIDAUDBFUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 325.72 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).