N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide

C11H13ClF2N2O2 — CID 82005140

IUPACN-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClF2N2O2/c1-6(18-5-10(13)14)11(17)16-9-4-7(12)2-3-8(9)15/h2-4,6,10H,5,15H2,1H3,(H,16,17)
InChIKeyXUJDVHPZRYWAKK-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.53
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide

N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide (PubChem CID 82005140) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
PubChem CID82005140
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClF2N2O2/c1-6(18-5-10(13)14)11(17)16-9-4-7(12)2-3-8(9)15/h2-4,6,10H,5,15H2,1H3,(H,16,17)
InChIKeyXUJDVHPZRYWAKK-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.53
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

N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
CID 43327290
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide (CID 82005140) is N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide is CC(OCC(F)F)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
The InChIKey is XUJDVHPZRYWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-6(18-5-10(13)14)11(17)16-9-4-7(12)2-3-8(9)15/h2-4,6,10H,5,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide?
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide has a molecular weight of 278.69 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82005140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).