5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide

C12H16FN3O3 — CID 62474462

IUPAC5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
SMILESCOCCC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H16FN3O3/c1-19-5-4-10(14)12(18)16-7-2-3-9(13)8(6-7)11(15)17/h2-3,6,10H,4-5,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFVXMUCCAHIUIKE-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.23
Rot. Bonds6

About 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide

5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide (PubChem CID 62474462) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
PubChem CID62474462
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
SMILESCOCCC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H16FN3O3/c1-19-5-4-10(14)12(18)16-7-2-3-9(13)8(6-7)11(15)17/h2-3,6,10H,4-5,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFVXMUCCAHIUIKE-UHFFFAOYSA-N
XLogP0.23
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
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
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide?
The IUPAC name of 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide (CID 62474462) is 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide?
The canonical SMILES for 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide is COCCC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide?
The InChIKey is FVXMUCCAHIUIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-19-5-4-10(14)12(18)16-7-2-3-9(13)8(6-7)11(15)17/h2-3,6,10H,4-5,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide?
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide has a molecular weight of 269.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 62474462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).