N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide

C20H23F2N3O4 — CID 155513687

IUPACN-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide
SMILESNC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C20H23F2N3O4/c21-13-6-3-8-15(26)17(13)19(28)24-10-2-1-5-12(11-23)25-20(29)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11,23H2,(H,24,28)(H,25,29)/t12-/m0/s1
InChIKeyBNNGQVOXTLQVHE-LBPRGKRZSA-N
MW407.42 g/mol
LogP2.03
Rot. Bonds9

About N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide

N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 155513687) has the molecular formula C20H23F2N3O4 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide
PubChem CID155513687
Molecular FormulaC20H23F2N3O4
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC NameN-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide
SMILESNC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C20H23F2N3O4/c21-13-6-3-8-15(26)17(13)19(28)24-10-2-1-5-12(11-23)25-20(29)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11,23H2,(H,24,28)(H,25,29)/t12-/m0/s1
InChIKeyBNNGQVOXTLQVHE-LBPRGKRZSA-N
XLogP2.03
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide (CID 155513687) is N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide is NC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is BNNGQVOXTLQVHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23F2N3O4/c21-13-6-3-8-15(26)17(13)19(28)24-10-2-1-5-12(11-23)25-20(29)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11,23H2,(H,24,28)(H,25,29)/t12-/m0/s1.
What are the key properties of N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide?
N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 407.42 g/mol, XLogP of 2.03, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 155513687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).