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

C14H17F2N3O — CID 107933660

IUPACN-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H17F2N3O/c1-3-9(2)19-12(20)6-7-18-11-5-4-10(8-17)13(15)14(11)16/h4-5,9,18H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyULIHJELIZUVXGE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds6

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

N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide (PubChem CID 107933660) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
PubChem CID107933660
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H17F2N3O/c1-3-9(2)19-12(20)6-7-18-11-5-4-10(8-17)13(15)14(11)16/h4-5,9,18H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyULIHJELIZUVXGE-UHFFFAOYSA-N
XLogP2.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(4-cyano-3-fluoroanilino)propanamide
CID 115367391
N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
CID 61021223
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
3-(3-bromo-4-cyano-2-fluoroanilino)-N-methylpropanamide
CID 107533528
3-(3-bromo-4-cyano-2-fluoroanilino)-N-propylpropanamide
CID 107533532
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
3-(2-amino-4-nitroanilino)-N-butan-2-ylpropanamide
CID 62508465
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide (CID 107933660) is N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide is CCC(C)NC(=O)CCNc1ccc(C#N)c(F)c1F.
What is the InChIKey of N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide?
The InChIKey is ULIHJELIZUVXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-9(2)19-12(20)6-7-18-11-5-4-10(8-17)13(15)14(11)16/h4-5,9,18H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide?
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide is sourced from PubChem (CID 107933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).