N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

C11H11F2NO3 — CID 139018845

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C11H11F2NO3/c1-3-10(15)14-7-4-5-8(17-11(12)13)9(6-7)16-2/h3-6,11H,1H2,2H3,(H,14,15)
InChIKeyIVXXRTIVMSAZNO-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.42
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (PubChem CID 139018845) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
PubChem CID139018845
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C11H11F2NO3/c1-3-10(15)14-7-4-5-8(17-11(12)13)9(6-7)16-2/h3-6,11H,1H2,2H3,(H,14,15)
InChIKeyIVXXRTIVMSAZNO-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.42
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

dimethyl (E)-2-[4-(difluoromethoxy)-3-methoxyanilino]but-2-enedioate
CID 168566189
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
(E)-N-(3-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 2371149
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
(Z)-2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2445116
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (CID 139018845) is N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The InChIKey is IVXXRTIVMSAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-3-10(15)14-7-4-5-8(17-11(12)13)9(6-7)16-2/h3-6,11H,1H2,2H3,(H,14,15).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide has a molecular weight of 243.21 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 139018845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).