N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

C18H17F4NO2 — CID 40950429

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1
InChIInChI=1S/C18H17F4NO2/c1-4-9(2)10-5-7-11(8-6-10)23-18(24)12-13(19)15(21)17(25-3)16(22)14(12)20/h5-9H,4H2,1-3H3,(H,23,24)/t9-/m0/s1
InChIKeyOZHPZMGJENEFKT-VIFPVBQESA-N
MW355.33 g/mol
LogP5.02
Rot. Bonds5

About N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 40950429) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID40950429
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1
InChIInChI=1S/C18H17F4NO2/c1-4-9(2)10-5-7-11(8-6-10)23-18(24)12-13(19)15(21)17(25-3)16(22)14(12)20/h5-9H,4H2,1-3H3,(H,23,24)/t9-/m0/s1
InChIKeyOZHPZMGJENEFKT-VIFPVBQESA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide with MolForge

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Related Compounds

3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7935730
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
N-[[4-[(2S)-butan-2-yl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 881390
N-[(4-acetamidophenyl)carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 22776426
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 40950429) is N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is CC[C@H](C)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is OZHPZMGJENEFKT-VIFPVBQESA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-4-9(2)10-5-7-11(8-6-10)23-18(24)12-13(19)15(21)17(25-3)16(22)14(12)20/h5-9H,4H2,1-3H3,(H,23,24)/t9-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 355.33 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 40950429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).