2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide

C10H12F2N2O — CID 175634041

IUPAC2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1cccc(C(F)F)c1
InChIInChI=1S/C10H12F2N2O/c11-10(12)8-3-1-2-7(4-8)6-14-9(15)5-13/h1-4,10H,5-6,13H2,(H,14,15)
InChIKeyGWZVGCJLXIKRKN-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.20
Rot. Bonds4

About 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide

2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide (PubChem CID 175634041) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
PubChem CID175634041
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1cccc(C(F)F)c1
InChIInChI=1S/C10H12F2N2O/c11-10(12)8-3-1-2-7(4-8)6-14-9(15)5-13/h1-4,10H,5-6,13H2,(H,14,15)
InChIKeyGWZVGCJLXIKRKN-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
N-[[3-(1-aminoethyl)phenyl]methyl]-4-chlorobutanamide
CID 165440683
2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
CID 113328883
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
CID 142914280
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 165439850
1-[[3-(difluoromethyl)phenyl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)urea
CID 167876209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide (CID 175634041) is 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide is NCC(=O)NCc1cccc(C(F)F)c1.
What is the InChIKey of 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GWZVGCJLXIKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-10(12)8-3-1-2-7(4-8)6-14-9(15)5-13/h1-4,10H,5-6,13H2,(H,14,15).
What are the key properties of 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide?
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide has a molecular weight of 214.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 175634041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).