N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide

C20H24FN3O2 — CID 54842530

IUPACN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O2/c1-2-3-4-12-19(25)23-16-9-7-8-15(13-16)22-14-20(26)24-18-11-6-5-10-17(18)21/h5-11,13,22H,2-4,12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXQYBFLCGZMLNKN-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.40
Rot. Bonds9

About N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide

N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide (PubChem CID 54842530) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
PubChem CID54842530
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O2/c1-2-3-4-12-19(25)23-16-9-7-8-15(13-16)22-14-20(26)24-18-11-6-5-10-17(18)21/h5-11,13,22H,2-4,12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXQYBFLCGZMLNKN-UHFFFAOYSA-N
XLogP4.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-(2-fluorophenyl)hexanamide
CID 3481165
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
CID 54813231
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide (CID 54842530) is N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The InChIKey is XQYBFLCGZMLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-3-4-12-19(25)23-16-9-7-8-15(13-16)22-14-20(26)24-18-11-6-5-10-17(18)21/h5-11,13,22H,2-4,12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide?
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide has a molecular weight of 357.43 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).