N-butyl-3-(2-fluoroanilino)-N-methylpropanamide

C14H21FN2O — CID 109032361

IUPACN-butyl-3-(2-fluoroanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCNc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-4-11-17(2)14(18)9-10-16-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyCHRDPAMPYZRUGP-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.89
Rot. Bonds7

About N-butyl-3-(2-fluoroanilino)-N-methylpropanamide

N-butyl-3-(2-fluoroanilino)-N-methylpropanamide (PubChem CID 109032361) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-butyl-3-(2-fluoroanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2-fluoroanilino)-N-methylpropanamide
PubChem CID109032361
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-butyl-3-(2-fluoroanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCNc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-3-4-11-17(2)14(18)9-10-16-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyCHRDPAMPYZRUGP-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(2-methoxyanilino)-N-methylpropanamide
CID 109032376
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109006214
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-fluoroanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(2-fluoroanilino)-N-methylpropanamide (CID 109032361) is N-butyl-3-(2-fluoroanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(2-fluoroanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(2-fluoroanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCNc1ccccc1F.
What is the InChIKey of N-butyl-3-(2-fluoroanilino)-N-methylpropanamide?
The InChIKey is CHRDPAMPYZRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-4-11-17(2)14(18)9-10-16-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-butyl-3-(2-fluoroanilino)-N-methylpropanamide?
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-fluoroanilino)-N-methylpropanamide is sourced from PubChem (CID 109032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).