N-butan-2-yl-2-(3,4-difluoroanilino)propanamide

C13H18F2N2O — CID 43116673

IUPACN-butan-2-yl-2-(3,4-difluoroanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-8(2)16-13(18)9(3)17-10-5-6-11(14)12(15)7-10/h5-9,17H,4H2,1-3H3,(H,16,18)
InChIKeySSJMOBLWDZLHOR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.68
Rot. Bonds5

About N-butan-2-yl-2-(3,4-difluoroanilino)propanamide

N-butan-2-yl-2-(3,4-difluoroanilino)propanamide (PubChem CID 43116673) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-difluoroanilino)propanamide
PubChem CID43116673
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-butan-2-yl-2-(3,4-difluoroanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-8(2)16-13(18)9(3)17-10-5-6-11(14)12(15)7-10/h5-9,17H,4H2,1-3H3,(H,16,18)
InChIKeySSJMOBLWDZLHOR-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
CID 43244370
N-butan-2-yl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 43112666
5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
CID 94959792

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(3,4-difluoroanilino)propanamide (CID 43116673) is N-butan-2-yl-2-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(3,4-difluoroanilino)propanamide is CCC(C)NC(=O)C(C)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-butan-2-yl-2-(3,4-difluoroanilino)propanamide?
The InChIKey is SSJMOBLWDZLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-8(2)16-13(18)9(3)17-10-5-6-11(14)12(15)7-10/h5-9,17H,4H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(3,4-difluoroanilino)propanamide?
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide has a molecular weight of 256.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 43116673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).