N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide

C25H34FN3O2 — CID 42707250

IUPACN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C25H34FN3O2/c1-3-4-5-6-7-8-13-24(30)27-18-19-29(22-16-14-21(26)15-17-22)25(31)28-23-12-10-9-11-20(23)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDKMWZKGQFHBXCN-UHFFFAOYSA-N
MW427.56 g/mol
LogP6.04
Rot. Bonds12

About N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide (PubChem CID 42707250) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
PubChem CID42707250
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C25H34FN3O2/c1-3-4-5-6-7-8-13-24(30)27-18-19-29(22-16-14-21(26)15-17-22)25(31)28-23-12-10-9-11-20(23)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDKMWZKGQFHBXCN-UHFFFAOYSA-N
XLogP6.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.56
LogP ≤ 56.04
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]heptanamide
CID 42707249
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
CID 42705328
N-[2-[4-fluoro-N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide
CID 42706929
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
CID 11647475
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide?
The IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide (CID 42707250) is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide.
What is the SMILES notation for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide?
The canonical SMILES for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide is CCCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide?
The InChIKey is DKMWZKGQFHBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-3-4-5-6-7-8-13-24(30)27-18-19-29(22-16-14-21(26)15-17-22)25(31)28-23-12-10-9-11-20(23)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide?
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide has a molecular weight of 427.56 g/mol, XLogP of 6.04, 12 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-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide is sourced from PubChem (CID 42707250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).