5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide

C14H21FN2O — CID 63843251

IUPAC5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(16)6-7-13(12)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyZBMALYBCXNVONM-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.96
Rot. Bonds5

About 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide

5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide (PubChem CID 63843251) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
PubChem CID63843251
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(16)6-7-13(12)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyZBMALYBCXNVONM-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.96
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

N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
5-amino-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223460

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide (CID 63843251) is 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide is CCC(CC)C(C)NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide?
The InChIKey is ZBMALYBCXNVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(16)6-7-13(12)15/h6-10H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide?
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 63843251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).