3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide

C10H7ClF3NO2 — CID 169482535

IUPAC3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO2/c11-8-5-7(17-10(12,13)14)3-1-6(8)2-4-9(15)16/h1-5H,(H2,15,16)
InChIKeyKGADITPQVWUFOO-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.74
Rot. Bonds3

About 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide

3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 169482535) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID169482535
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO2/c11-8-5-7(17-10(12,13)14)3-1-6(8)2-4-9(15)16/h1-5H,(H2,15,16)
InChIKeyKGADITPQVWUFOO-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456006
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enyl formate
CID 91093916
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
4-[2-chloro-4-(trifluoromethoxy)phenyl]but-3-ene-1-thiol
CID 170479175
(E)-3-[2-bromo-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 167530765
(Z)-2-amino-3-[[2-chloro-4-(trifluoromethoxy)phenyl]methylideneamino]but-2-enedinitrile
CID 14210516
(E)-3-[2-(3-chloropropyl)-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 118819656
2-[2-chloro-4-(trifluoromethoxy)phenyl]-2,2-difluoroacetic acid
CID 166132507
(E)-3-[5-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 170999485

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 169482535) is 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide is NC(=O)C=Cc1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is KGADITPQVWUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-8-5-7(17-10(12,13)14)3-1-6(8)2-4-9(15)16/h1-5H,(H2,15,16).
What are the key properties of 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide?
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 265.62 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 169482535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).