5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide

C15H22FN3O2 — CID 65290752

IUPAC5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H22FN3O2/c1-9(4-3-5-10(2)17)15(21)19-11-6-7-13(16)12(8-11)14(18)20/h6-10H,3-5,17H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyUEQQBFUJAMVJQA-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.02
Rot. Bonds7

About 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide

5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide (PubChem CID 65290752) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
PubChem CID65290752
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H22FN3O2/c1-9(4-3-5-10(2)17)15(21)19-11-6-7-13(16)12(8-11)14(18)20/h6-10H,3-5,17H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyUEQQBFUJAMVJQA-UHFFFAOYSA-N
XLogP2.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide?
The IUPAC name of 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide (CID 65290752) is 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide?
The canonical SMILES for 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide is CC(N)CCCC(C)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide?
The InChIKey is UEQQBFUJAMVJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-9(4-3-5-10(2)17)15(21)19-11-6-7-13(16)12(8-11)14(18)20/h6-10H,3-5,17H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide?
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide has a molecular weight of 295.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 65290752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).