N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide

C17H13F6NO — CID 86613992

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NO/c18-14-7-1-11(2-8-14)9-10-24-15(25)12-3-5-13(6-4-12)16(19,20)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyNHDPKWTYJNFXDK-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.45
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide

N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide (PubChem CID 86613992) has the molecular formula C17H13F6NO and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
PubChem CID86613992
Molecular FormulaC17H13F6NO
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NO/c18-14-7-1-11(2-8-14)9-10-24-15(25)12-3-5-13(6-4-12)16(19,20)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyNHDPKWTYJNFXDK-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide;4-(1,1,2,2,2-pentafluoroethyl)benzoic acid
CID 161150269
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide (CID 86613992) is N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
The InChIKey is NHDPKWTYJNFXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO/c18-14-7-1-11(2-8-14)9-10-24-15(25)12-3-5-13(6-4-12)16(19,20)17(21,22)23/h1-8H,9-10H2,(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide has a molecular weight of 361.29 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide is sourced from PubChem (CID 86613992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).