2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide

C12H16F2N2O2 — CID 107477906

IUPAC2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H16F2N2O2/c1-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3
InChIKeyVYTDNFLHPFQGLK-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide (PubChem CID 107477906) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
PubChem CID107477906
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H16F2N2O2/c1-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3
InChIKeyVYTDNFLHPFQGLK-UHFFFAOYSA-N
XLogP1.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.28
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107486037
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-2-(propylamino)benzamide
CID 107486049
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-amino-N,N-bis(cyanomethyl)-5-methylbenzamide
CID 62508953
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide (CID 107477906) is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is VYTDNFLHPFQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide?
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 258.27 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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 107477906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).