N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C11H10Cl2F4N2O2 — CID 29004312

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H10Cl2F4N2O2/c12-5-1-6(13)9(7(18)2-5)19-8(20)3-21-4-11(16,17)10(14)15/h1-2,10H,3-4,18H2,(H,19,20)
InChIKeyYMSHFVXFHTVAJM-UHFFFAOYSA-N
MW349.11 g/mol
LogP3.43
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 29004312) has the molecular formula C11H10Cl2F4N2O2 and a molecular weight of 349.11 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID29004312
Molecular FormulaC11H10Cl2F4N2O2
Molecular Weight349.11 g/mol
Exact Mass348.01
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H10Cl2F4N2O2/c12-5-1-6(13)9(7(18)2-5)19-8(20)3-21-4-11(16,17)10(14)15/h1-2,10H,3-4,18H2,(H,19,20)
InChIKeyYMSHFVXFHTVAJM-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115941858
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 29033166
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205716
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 29004297
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 29004312) is N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is YMSHFVXFHTVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F4N2O2/c12-5-1-6(13)9(7(18)2-5)19-8(20)3-21-4-11(16,17)10(14)15/h1-2,10H,3-4,18H2,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 349.11 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 29004312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).