N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide

C10H6Cl2F4N2O2 — CID 2354239

IUPACN-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)C(F)F)cc1Cl)C(F)F
InChIInChI=1S/C10H6Cl2F4N2O2/c11-3-1-5(17-9(19)7(13)14)4(12)2-6(3)18-10(20)8(15)16/h1-2,7-8H,(H,17,19)(H,18,20)
InChIKeyHQVIGKDOFIJYTF-UHFFFAOYSA-N
MW333.07 g/mol
LogP3.40
Rot. Bonds4

About N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide

N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide (PubChem CID 2354239) has the molecular formula C10H6Cl2F4N2O2 and a molecular weight of 333.07 g/mol. Its IUPAC name is N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
PubChem CID2354239
Molecular FormulaC10H6Cl2F4N2O2
Molecular Weight333.07 g/mol
Exact Mass331.97
IUPAC NameN-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)C(F)F)cc1Cl)C(F)F
InChIInChI=1S/C10H6Cl2F4N2O2/c11-3-1-5(17-9(19)7(13)14)4(12)2-6(3)18-10(20)8(15)16/h1-2,7-8H,(H,17,19)(H,18,20)
InChIKeyHQVIGKDOFIJYTF-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N-(2,4,5-trichlorophenyl)carbamoyl fluoride
CID 88834556
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide (CID 2354239) is N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(NC(=O)C(F)F)cc1Cl)C(F)F.
What is the InChIKey of N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide?
The InChIKey is HQVIGKDOFIJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F4N2O2/c11-3-1-5(17-9(19)7(13)14)4(12)2-6(3)18-10(20)8(15)16/h1-2,7-8H,(H,17,19)(H,18,20).
What are the key properties of N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide?
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide has a molecular weight of 333.07 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 2354239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).