N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide

C13H18FN3O3 — CID 89197972

IUPACN-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
SMILESNC(=O)C(CCCCNC(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C13H18FN3O3/c14-10-6-4-9(5-7-10)13(19)16-8-2-1-3-11(17-20)12(15)18/h4-7,11,17,20H,1-3,8H2,(H2,15,18)(H,16,19)
InChIKeyOVPKBCGKNFAGFZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.56
Rot. Bonds8

About N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide

N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide (PubChem CID 89197972) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
PubChem CID89197972
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
SMILESNC(=O)C(CCCCNC(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C13H18FN3O3/c14-10-6-4-9(5-7-10)13(19)16-8-2-1-3-11(17-20)12(15)18/h4-7,11,17,20H,1-3,8H2,(H2,15,18)(H,16,19)
InChIKeyOVPKBCGKNFAGFZ-UHFFFAOYSA-N
XLogP0.56
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
[4-[[6-amino-5-(methylamino)-6-oxohexyl]carbamoyl]phenyl]azanium
CID 147379638
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-[(5R)-5-acetamidohexyl]-4-(18F)fluoro(18F)benzamide;N-ethyl-4-(18F)fluoro(18F)benzamide
CID 160565392
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
2-[[2-amino-6-[(4-fluorobenzoyl)amino]hexanoyl]-methylamino]acetic acid
CID 10042800
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
(2S)-2-[[(1S)-1-carboxy-5-[(4-fluorobenzoyl)amino]pentyl]carbamoyl-hydroxyamino]pentanedioic acid
CID 89414826
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
2-[[5-carboxy-5-[(4-fluorobenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 67178458
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide?
The IUPAC name of N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide (CID 89197972) is N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide is NC(=O)C(CCCCNC(=O)c1ccc(F)cc1)NO.
What is the InChIKey of N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide?
The InChIKey is OVPKBCGKNFAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-10-6-4-9(5-7-10)13(19)16-8-2-1-3-11(17-20)12(15)18/h4-7,11,17,20H,1-3,8H2,(H2,15,18)(H,16,19).
What are the key properties of N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide?
N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide has a molecular weight of 283.30 g/mol, XLogP of 0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide is sourced from PubChem (CID 89197972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).