N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C16H11ClF3NO — CID 874967

IUPACN-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO/c17-13-6-1-2-7-14(13)21-15(22)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H,(H,21,22)
InChIKeyZCKSJGABCPWQDZ-UHFFFAOYSA-N
MW325.72 g/mol
LogP5.01
Rot. Bonds3

About N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 874967) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID874967
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC NameN-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO/c17-13-6-1-2-7-14(13)21-15(22)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H,(H,21,22)
InChIKeyZCKSJGABCPWQDZ-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)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 874240
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55642515
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 16552812
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 874967) is N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZCKSJGABCPWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-13-6-1-2-7-14(13)21-15(22)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-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-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 874967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).