2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide

C10H12F2N2O2 — CID 115405286

IUPAC2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(F)F)c1
InChIInChI=1S/C10H12F2N2O2/c1-16-6-2-3-8(13)7(4-6)10(15)14-5-9(11)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyZLHQQAXAZJCJLX-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide

2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide (PubChem CID 115405286) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
PubChem CID115405286
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(F)F)c1
InChIInChI=1S/C10H12F2N2O2/c1-16-6-2-3-8(13)7(4-6)10(15)14-5-9(11)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyZLHQQAXAZJCJLX-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104685620
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide (CID 115405286) is 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC(F)F)c1.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide?
The InChIKey is ZLHQQAXAZJCJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-16-6-2-3-8(13)7(4-6)10(15)14-5-9(11)12/h2-4,9H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide?
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide has a molecular weight of 230.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide is sourced from PubChem (CID 115405286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).