N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide

C24H32FN3O2 — CID 42726462

IUPACN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
SMILESCCCCCCC(=O)NCCCN(C(=O)Nc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H32FN3O2/c1-3-4-5-6-8-23(29)26-17-7-18-28(22-15-11-20(25)12-16-22)24(30)27-21-13-9-19(2)10-14-21/h9-16H,3-8,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHPKVBCHYPJZRHR-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.65
Rot. Bonds11

About N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide

N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide (PubChem CID 42726462) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
PubChem CID42726462
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
SMILESCCCCCCC(=O)NCCCN(C(=O)Nc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H32FN3O2/c1-3-4-5-6-8-23(29)26-17-7-18-28(22-15-11-20(25)12-16-22)24(30)27-21-13-9-19(2)10-14-21/h9-16H,3-8,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHPKVBCHYPJZRHR-UHFFFAOYSA-N
XLogP5.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.65
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-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
CID 42705328
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[2-[4-fluoro-N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide
CID 42706929
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
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]-3,5,5-trimethylhexanamide
CID 42726117
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]hexanamide
CID 4656137

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide?
The IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide (CID 42726462) is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide.
What is the SMILES notation for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide?
The canonical SMILES for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide is CCCCCCC(=O)NCCCN(C(=O)Nc1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide?
The InChIKey is HPKVBCHYPJZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-3-4-5-6-8-23(29)26-17-7-18-28(22-15-11-20(25)12-16-22)24(30)27-21-13-9-19(2)10-14-21/h9-16H,3-8,17-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide?
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide has a molecular weight of 413.54 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide is sourced from PubChem (CID 42726462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).