N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide

C25H34FN3O2 — CID 42705463

IUPACN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H34FN3O2/c1-2-3-4-5-6-7-11-14-24(30)27-19-20-29(23-17-15-21(26)16-18-23)25(31)28-22-12-9-8-10-13-22/h8-10,12-13,15-18H,2-7,11,14,19-20H2,1H3,(H,27,30)(H,28,31)
InChIKeyOYLRZVJDNPUATH-UHFFFAOYSA-N
MW427.56 g/mol
LogP6.12
Rot. Bonds13

About N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide

N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide (PubChem CID 42705463) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
PubChem CID42705463
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC NameN-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H34FN3O2/c1-2-3-4-5-6-7-11-14-24(30)27-19-20-29(23-17-15-21(26)16-18-23)25(31)28-22-12-9-8-10-13-22/h8-10,12-13,15-18H,2-7,11,14,19-20H2,1H3,(H,27,30)(H,28,31)
InChIKeyOYLRZVJDNPUATH-UHFFFAOYSA-N
XLogP6.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.56
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[2-[4-fluoro-N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide
CID 42706929
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
CID 42705328
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide?
The IUPAC name of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide (CID 42705463) is N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide.
What is the SMILES notation for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide?
The canonical SMILES for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide is CCCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide?
The InChIKey is OYLRZVJDNPUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-2-3-4-5-6-7-11-14-24(30)27-19-20-29(23-17-15-21(26)16-18-23)25(31)28-22-12-9-8-10-13-22/h8-10,12-13,15-18H,2-7,11,14,19-20H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide?
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide has a molecular weight of 427.56 g/mol, XLogP of 6.12, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide is sourced from PubChem (CID 42705463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).