2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide

C14H21FN2O — CID 114270471

IUPAC2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
SMILESCC(CNc1ccc(F)c(C(N)=O)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-10-5-6-12(15)11(7-10)13(16)18/h5-7,9,17H,8H2,1-4H3,(H2,16,18)
InChIKeyOEQHZVXEAFDPAJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide

2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide (PubChem CID 114270471) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
PubChem CID114270471
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
SMILESCC(CNc1ccc(F)c(C(N)=O)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-10-5-6-12(15)11(7-10)13(16)18/h5-7,9,17H,8H2,1-4H3,(H2,16,18)
InChIKeyOEQHZVXEAFDPAJ-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbamothioyl-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63832914
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
2-fluoro-5-(3-methylsulfanylpropylamino)benzamide
CID 43705135
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
CID 43705157
2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
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CID 47063963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide?
The IUPAC name of 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide (CID 114270471) is 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide is CC(CNc1ccc(F)c(C(N)=O)c1)C(C)(C)C.
What is the InChIKey of 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide?
The InChIKey is OEQHZVXEAFDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(14(2,3)4)8-17-10-5-6-12(15)11(7-10)13(16)18/h5-7,9,17H,8H2,1-4H3,(H2,16,18).
What are the key properties of 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide?
2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide has a molecular weight of 252.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide is sourced from PubChem (CID 114270471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).