4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide

C14H21FN2O — CID 83142817

IUPAC4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(N)cc1F)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(16)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyLUWZAJDVCHVPNU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.82
Rot. Bonds3

About 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide

4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 83142817) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID83142817
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(N)cc1F)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(16)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyLUWZAJDVCHVPNU-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
CID 107794464
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
(2S)-2-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 103869089

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide (CID 83142817) is 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1ccc(N)cc1F)C(C)(C)C.
What is the InChIKey of 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is LUWZAJDVCHVPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(16)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 252.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 83142817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).