N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide

C14H18F4N2O — CID 107644238

IUPACN-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H18F4N2O/c1-4-8(5-2)20-14(21)7(3)19-13-11(17)9(15)6-10(16)12(13)18/h6-8,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyCVHBVKDUYKXDKS-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.35
Rot. Bonds6

About N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide

N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide (PubChem CID 107644238) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
PubChem CID107644238
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC NameN-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H18F4N2O/c1-4-8(5-2)20-14(21)7(3)19-13-11(17)9(15)6-10(16)12(13)18/h6-8,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyCVHBVKDUYKXDKS-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644351
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
N-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 133371825
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
3-methoxy-2-(2,3,5,6-tetrafluoroanilino)propanoic acid
CID 107645191

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The IUPAC name of N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide (CID 107644238) is N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide.
What is the SMILES notation for N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The canonical SMILES for N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide is CCC(CC)NC(=O)C(C)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The InChIKey is CVHBVKDUYKXDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-4-8(5-2)20-14(21)7(3)19-13-11(17)9(15)6-10(16)12(13)18/h6-8,19H,4-5H2,1-3H3,(H,20,21).
What are the key properties of N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide?
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide has a molecular weight of 306.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide is sourced from PubChem (CID 107644238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).