N'-cyclopropyl-2-(2-fluoroanilino)butanediamide

C13H16FN3O2 — CID 66429998

IUPACN'-cyclopropyl-2-(2-fluoroanilino)butanediamide
SMILESNC(=O)C(CC(=O)NC1CC1)Nc1ccccc1F
InChIInChI=1S/C13H16FN3O2/c14-9-3-1-2-4-10(9)17-11(13(15)19)7-12(18)16-8-5-6-8/h1-4,8,11,17H,5-7H2,(H2,15,19)(H,16,18)
InChIKeyNUIZZQJQLGDRKP-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.76
Rot. Bonds6

About N'-cyclopropyl-2-(2-fluoroanilino)butanediamide

N'-cyclopropyl-2-(2-fluoroanilino)butanediamide (PubChem CID 66429998) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N'-cyclopropyl-2-(2-fluoroanilino)butanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-(2-fluoroanilino)butanediamide
PubChem CID66429998
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN'-cyclopropyl-2-(2-fluoroanilino)butanediamide
SMILESNC(=O)C(CC(=O)NC1CC1)Nc1ccccc1F
InChIInChI=1S/C13H16FN3O2/c14-9-3-1-2-4-10(9)17-11(13(15)19)7-12(18)16-8-5-6-8/h1-4,8,11,17H,5-7H2,(H2,15,19)(H,16,18)
InChIKeyNUIZZQJQLGDRKP-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)butanamide
CID 60995502
N'-cyclopropyl-2-(3-methoxyanilino)butanediamide
CID 66429794
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
N'-cyclopropyl-2-(propylamino)butanediamide
CID 66430402
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
CID 66431014
2-(2-fluoroanilino)-2-(oxolan-2-yl)acetamide
CID 82836977
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-(2-fluoroanilino)butanediamide?
The IUPAC name of N'-cyclopropyl-2-(2-fluoroanilino)butanediamide (CID 66429998) is N'-cyclopropyl-2-(2-fluoroanilino)butanediamide.
What is the SMILES notation for N'-cyclopropyl-2-(2-fluoroanilino)butanediamide?
The canonical SMILES for N'-cyclopropyl-2-(2-fluoroanilino)butanediamide is NC(=O)C(CC(=O)NC1CC1)Nc1ccccc1F.
What is the InChIKey of N'-cyclopropyl-2-(2-fluoroanilino)butanediamide?
The InChIKey is NUIZZQJQLGDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-9-3-1-2-4-10(9)17-11(13(15)19)7-12(18)16-8-5-6-8/h1-4,8,11,17H,5-7H2,(H2,15,19)(H,16,18).
What are the key properties of N'-cyclopropyl-2-(2-fluoroanilino)butanediamide?
N'-cyclopropyl-2-(2-fluoroanilino)butanediamide has a molecular weight of 265.29 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-(2-fluoroanilino)butanediamide is sourced from PubChem (CID 66429998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).