N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

C18H15ClF3NO3 — CID 5182616

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15ClF3NO3/c1-25-13-5-7-16(26-2)11(9-13)3-8-17(24)23-12-4-6-15(19)14(10-12)18(20,21)22/h3-10H,1-2H3,(H,23,24)
InChIKeyUFRKYMLJIAJYCR-UHFFFAOYSA-N
MW385.77 g/mol
LogP5.03
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 5182616) has the molecular formula C18H15ClF3NO3 and a molecular weight of 385.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID5182616
Molecular FormulaC18H15ClF3NO3
Molecular Weight385.77 g/mol
Exact Mass385.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15ClF3NO3/c1-25-13-5-7-16(26-2)11(9-13)3-8-17(24)23-12-4-6-15(19)14(10-12)18(20,21)22/h3-10H,1-2H3,(H,23,24)
InChIKeyUFRKYMLJIAJYCR-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
3-(2-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4992698
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 5182616) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide is COc1ccc(OC)c(C=CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is UFRKYMLJIAJYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3/c1-25-13-5-7-16(26-2)11(9-13)3-8-17(24)23-12-4-6-15(19)14(10-12)18(20,21)22/h3-10H,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 385.77 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5182616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).