N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide

C14H18F4N2O — CID 107644351

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

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

N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide (PubChem CID 107644351) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
PubChem CID107644351
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC NameN-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H18F4N2O/c1-7(2)4-5-19-14(21)8(3)20-13-11(17)9(15)6-10(16)12(13)18/h6-8,20H,4-5H2,1-3H3,(H,19,21)
InChIKeySMGPZQHZUZFUOB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide (CID 107644351) is N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide is CC(C)CCNC(=O)C(C)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
The InChIKey is SMGPZQHZUZFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-7(2)4-5-19-14(21)8(3)20-13-11(17)9(15)6-10(16)12(13)18/h6-8,20H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide?
N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide has a molecular weight of 306.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide is sourced from PubChem (CID 107644351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).