N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide

C10H12F2N2O — CID 143186185

IUPACN-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N)c(C(C)(F)F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(15)14-7-3-4-9(13)8(5-7)10(2,11)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyNVYUKMLJWOTXOD-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.34
Rot. Bonds2

About N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide

N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide (PubChem CID 143186185) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
PubChem CID143186185
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N)c(C(C)(F)F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(15)14-7-3-4-9(13)8(5-7)10(2,11)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyNVYUKMLJWOTXOD-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.34
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-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide
CID 155291867
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-(4-amino-3-methylphenyl)-2,6-difluorobenzamide;N-[4-amino-3-(trifluoromethyl)phenyl]acetamide;N-[4-amino-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 161358741
4-chloro-2-(1,1-difluoroethyl)aniline
CID 123877907
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide?
The IUPAC name of N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide (CID 143186185) is N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide?
The canonical SMILES for N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide is CC(=O)Nc1ccc(N)c(C(C)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide?
The InChIKey is NVYUKMLJWOTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(15)14-7-3-4-9(13)8(5-7)10(2,11)12/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide?
N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide has a molecular weight of 214.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide is sourced from PubChem (CID 143186185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).