N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide

C12H13F2NO2 — CID 43616660

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H13F2NO2/c1-3-11(16)15(2)8-9-4-6-10(7-5-9)17-12(13)14/h3-7,12H,1,8H2,2H3
InChIKeyIHOSZCFZAFZJQA-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.43
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide (PubChem CID 43616660) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
PubChem CID43616660
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H13F2NO2/c1-3-11(16)15(2)8-9-4-6-10(7-5-9)17-12(13)14/h3-7,12H,1,8H2,2H3
InChIKeyIHOSZCFZAFZJQA-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
CID 94082091
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564017
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide (CID 43616660) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide?
The InChIKey is IHOSZCFZAFZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-3-11(16)15(2)8-9-4-6-10(7-5-9)17-12(13)14/h3-7,12H,1,8H2,2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide has a molecular weight of 241.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 43616660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).