5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide

C14H21FN2O — CID 103295951

IUPAC5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C14H21FN2O/c1-5-6-10(3)17(4)14(18)12-8-11(16)7-9(2)13(12)15/h7-8,10H,5-6,16H2,1-4H3
InChIKeyVAZNHGVBTGCBAB-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.98
Rot. Bonds4

About 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide

5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide (PubChem CID 103295951) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
PubChem CID103295951
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C14H21FN2O/c1-5-6-10(3)17(4)14(18)12-8-11(16)7-9(2)13(12)15/h7-8,10H,5-6,16H2,1-4H3
InChIKeyVAZNHGVBTGCBAB-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
2,5-difluoro-N-methyl-3-nitro-N-pentan-2-ylbenzamide
CID 107121826
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide (CID 103295951) is 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide?
The InChIKey is VAZNHGVBTGCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-6-10(3)17(4)14(18)12-8-11(16)7-9(2)13(12)15/h7-8,10H,5-6,16H2,1-4H3.
What are the key properties of 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide?
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 103295951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).