2-(2-fluoroanilino)-N-pentylpropanamide

C14H21FN2O — CID 43113406

IUPAC2-(2-fluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-4-7-10-16-14(18)11(2)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,16,18)
InChIKeyKYZAYYNXQYIJGV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.93
Rot. Bonds7

About 2-(2-fluoroanilino)-N-pentylpropanamide

2-(2-fluoroanilino)-N-pentylpropanamide (PubChem CID 43113406) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-pentylpropanamide
PubChem CID43113406
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(2-fluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-4-7-10-16-14(18)11(2)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,16,18)
InChIKeyKYZAYYNXQYIJGV-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.93
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

2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
CID 102853314
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-pentylpropanamide?
The IUPAC name of 2-(2-fluoroanilino)-N-pentylpropanamide (CID 43113406) is 2-(2-fluoroanilino)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-pentylpropanamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-pentylpropanamide?
The InChIKey is KYZAYYNXQYIJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-4-7-10-16-14(18)11(2)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-fluoroanilino)-N-pentylpropanamide?
2-(2-fluoroanilino)-N-pentylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-pentylpropanamide is sourced from PubChem (CID 43113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).