(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H17ClF3NO — CID 2294263

IUPAC(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3NO/c1-12(2)14-6-3-13(4-7-14)5-10-18(25)24-17-9-8-15(20)11-16(17)19(21,22)23/h3-12H,1-2H3,(H,24,25)/b10-5+
InChIKeyHDFBJNXJRQELCR-BJMVGYQFSA-N
MW367.80 g/mol
LogP6.13
Rot. Bonds4

About (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 2294263) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID2294263
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3NO/c1-12(2)14-6-3-13(4-7-14)5-10-18(25)24-17-9-8-15(20)11-16(17)19(21,22)23/h3-12H,1-2H3,(H,24,25)/b10-5+
InChIKeyHDFBJNXJRQELCR-BJMVGYQFSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 56.13
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

6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868
6-Chloro-2-hydroxyquinoline
CID 326646
4-Chloro-2-methylacetanilide
CID 78877
3-Amino-6-chloro-4-phenylquinolin-2-ol
CID 3810484
6-Chloro-4-phenyl-1,2-dihydroquinolin-2-one
CID 878295
4-tert-butyl-N-(4-chlorophenyl)benzamide
CID 667626
3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 776962
3-(2-chlorophenyl)-N-(4-isopropylphenyl)acrylamide
CID 776964
N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide
CID 70697318

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 2294263) is (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is HDFBJNXJRQELCR-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c1-12(2)14-6-3-13(4-7-14)5-10-18(25)24-17-9-8-15(20)11-16(17)19(21,22)23/h3-12H,1-2H3,(H,24,25)/b10-5+.
What are the key properties of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 367.80 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2294263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).