N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane

C18H29F11N2O3 — CID 159736446

IUPACN-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane
SMILESC.C.CC(=O)Nc1ccc(NC(C)=O)cc1.CCC(F)(F)F.FC(F)(F)F.FCF.FCOF
InChIInChI=1S/C10H12N2O2.C3H5F3.CF4.CH2F2O.CH2F2.2CH4/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14;1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3;;/h3-6H,1-2H3,(H,11,13)(H,12,14);2H2,1H3;;1H2;1H2;2*1H4
InChIKeyNBXBIQJEPHIHDH-UHFFFAOYSA-N
MW530.42 g/mol
LogP8.01
Rot. Bonds3

About N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane

N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane (PubChem CID 159736446) has the molecular formula C18H29F11N2O3 and a molecular weight of 530.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane.

Molecular Properties

Compound NameN-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane
PubChem CID159736446
Molecular FormulaC18H29F11N2O3
Molecular Weight530.42 g/mol
Exact Mass530.20
IUPAC NameN-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane
SMILESC.C.CC(=O)Nc1ccc(NC(C)=O)cc1.CCC(F)(F)F.FC(F)(F)F.FCF.FCOF
InChIInChI=1S/C10H12N2O2.C3H5F3.CF4.CH2F2O.CH2F2.2CH4/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14;1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3;;/h3-6H,1-2H3,(H,11,13)(H,12,14);2H2,1H3;;1H2;1H2;2*1H4
InChIKeyNBXBIQJEPHIHDH-UHFFFAOYSA-N
XLogP8.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.42
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
CID 22279321
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
CID 162538856
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
N-methylethanamine;N-phenylacetamide
CID 156841550
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane?
The IUPAC name of N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane (CID 159736446) is N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane.
What is the SMILES notation for N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane?
The canonical SMILES for N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane is C.C.CC(=O)Nc1ccc(NC(C)=O)cc1.CCC(F)(F)F.FC(F)(F)F.FCF.FCOF.
What is the InChIKey of N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane?
The InChIKey is NBXBIQJEPHIHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C3H5F3.CF4.CH2F2O.CH2F2.2CH4/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14;1-2-3(4,5)6;2-1(3,4)5;2-1-4-3;2-1-3;;/h3-6H,1-2H3,(H,11,13)(H,12,14);2H2,1H3;;1H2;1H2;2*1H4.
What are the key properties of N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane?
N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane has a molecular weight of 530.42 g/mol, XLogP of 8.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane is sourced from PubChem (CID 159736446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).