4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide

C11H12Cl2F2N2O2 — CID 103099439

IUPAC4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCCOCC(F)F)cc1Cl
InChIInChI=1S/C11H12Cl2F2N2O2/c12-7-3-6(4-8(13)10(7)16)11(18)17-1-2-19-5-9(14)15/h3-4,9H,1-2,5,16H2,(H,17,18)
InChIKeySJQCUTMIAVGDRB-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide

4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide (PubChem CID 103099439) has the molecular formula C11H12Cl2F2N2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
PubChem CID103099439
Molecular FormulaC11H12Cl2F2N2O2
Molecular Weight313.13 g/mol
Exact Mass312.02
IUPAC Name4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCCOCC(F)F)cc1Cl
InChIInChI=1S/C11H12Cl2F2N2O2/c12-7-3-6(4-8(13)10(7)16)11(18)17-1-2-19-5-9(14)15/h3-4,9H,1-2,5,16H2,(H,17,18)
InChIKeySJQCUTMIAVGDRB-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitrobenzamide
CID 103082387
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide (CID 103099439) is 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide is Nc1c(Cl)cc(C(=O)NCCOCC(F)F)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The InChIKey is SJQCUTMIAVGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F2N2O2/c12-7-3-6(4-8(13)10(7)16)11(18)17-1-2-19-5-9(14)15/h3-4,9H,1-2,5,16H2,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide has a molecular weight of 313.13 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 103099439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).