3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide

C10H9F3N2O — CID 169482321

IUPAC3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(8(14)5-7)2-4-9(15)16/h1-5H,14H2,(H2,15,16)
InChIKeyLAJVCVKACLMGCG-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.79
Rot. Bonds2

About 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide

3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 169482321) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID169482321
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(8(14)5-7)2-4-9(15)16/h1-5H,14H2,(H2,15,16)
InChIKeyLAJVCVKACLMGCG-UHFFFAOYSA-N
XLogP1.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
S-[3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enyl] ethanethioate
CID 169457833
2-(2,2-dibromoethenyl)-5-(trifluoromethyl)aniline
CID 11501095
3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482776
3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
CID 169482100
methyl (E)-3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 15453700
(Z)-4-[2,4-bis(trifluoromethyl)phenyl]but-3-en-2-one
CID 177494355
3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide
CID 21184788
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482319

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 169482321) is 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide is NC(=O)C=Cc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is LAJVCVKACLMGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(8(14)5-7)2-4-9(15)16/h1-5H,14H2,(H2,15,16).
What are the key properties of 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide?
3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 230.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 169482321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).