N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide

C11H12F2N2O — CID 169465509

IUPACN-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H12F2N2O/c1-7(16)15-4-2-3-8-5-9(12)11(14)10(13)6-8/h2-3,5-6H,4,14H2,1H3,(H,15,16)
InChIKeyASEBZJHFKJBAIY-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.70
Rot. Bonds3

About N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide

N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide (PubChem CID 169465509) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
PubChem CID169465509
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H12F2N2O/c1-7(16)15-4-2-3-8-5-9(12)11(14)10(13)6-8/h2-3,5-6H,4,14H2,1H3,(H,15,16)
InChIKeyASEBZJHFKJBAIY-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170488732
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052
N-[3-[3-amino-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466078
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-[4-amino-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466074
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide (CID 169465509) is N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(F)c(N)c(F)c1.
What is the InChIKey of N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide?
The InChIKey is ASEBZJHFKJBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7(16)15-4-2-3-8-5-9(12)11(14)10(13)6-8/h2-3,5-6H,4,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide?
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide has a molecular weight of 226.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).