2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride

C10H13ClF2N2O2 — CID 119271340

IUPAC2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2.ClH/c11-10(12)16-8-3-1-7(2-4-8)6-14-9(15)5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H
InChIKeyRKMDBVHOBOIRFV-UHFFFAOYSA-N
MW266.67 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride

2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119271340) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119271340
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.67 g/mol
Exact Mass266.06
IUPAC Name2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2.ClH/c11-10(12)16-8-3-1-7(2-4-8)6-14-9(15)5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H
InChIKeyRKMDBVHOBOIRFV-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride (CID 119271340) is 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is RKMDBVHOBOIRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2.ClH/c11-10(12)16-8-3-1-7(2-4-8)6-14-9(15)5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H.
What are the key properties of 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 266.67 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119271340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).