N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide

C12H12ClF3N2O — CID 78908846

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-2-6-17-7-10(19)18-11-8(12(14,15)16)4-3-5-9(11)13/h2-5,17H,1,6-7H2,(H,18,19)
InChIKeyZXYQWNMCSZQJFW-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.07
Rot. Bonds5

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 78908846) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID78908846
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-2-6-17-7-10(19)18-11-8(12(14,15)16)4-3-5-9(11)13/h2-5,17H,1,6-7H2,(H,18,19)
InChIKeyZXYQWNMCSZQJFW-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784691
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007808
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide (CID 78908846) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is ZXYQWNMCSZQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c1-2-6-17-7-10(19)18-11-8(12(14,15)16)4-3-5-9(11)13/h2-5,17H,1,6-7H2,(H,18,19).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 292.69 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).