(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide

C10H11FN4O2 — CID 167283529

IUPAC(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
SMILESC[C@H](N=[N+]=[N-])C(=O)Nc1ccc(CO)c(F)c1
InChIInChI=1S/C10H11FN4O2/c1-6(14-15-12)10(17)13-8-3-2-7(5-16)9(11)4-8/h2-4,6,16H,5H2,1H3,(H,13,17)/t6-/m0/s1
InChIKeyJHKRHENNXJDJAT-LURJTMIESA-N
MW238.22 g/mol
LogP1.96
Rot. Bonds4

About (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide

(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide (PubChem CID 167283529) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
PubChem CID167283529
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
SMILESC[C@H](N=[N+]=[N-])C(=O)Nc1ccc(CO)c(F)c1
InChIInChI=1S/C10H11FN4O2/c1-6(14-15-12)10(17)13-8-3-2-7(5-16)9(11)4-8/h2-4,6,16H,5H2,1H3,(H,13,17)/t6-/m0/s1
InChIKeyJHKRHENNXJDJAT-LURJTMIESA-N
XLogP1.96
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azido-N-[4-[[(cyclopropylmethylamino)-[(E)-5-hydroxy-4-methylpent-3-enyl]phosphoryl]oxymethyl]-3-fluorophenyl]propanamide
CID 167283527
2-azido-N-(3-oxaldehydoylphenyl)propanamide;hydrate
CID 169427182
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide
CID 176555769
2-azido-N-methylpropanamide
CID 20591221
2-azido-N-benzylpropanamide
CID 73205195
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
(2-fluoro-4-hydrazinylphenyl)methanol
CID 118807730
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
CID 122109856
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide (CID 167283529) is (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide is C[C@H](N=[N+]=[N-])C(=O)Nc1ccc(CO)c(F)c1.
What is the InChIKey of (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is JHKRHENNXJDJAT-LURJTMIESA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-6(14-15-12)10(17)13-8-3-2-7(5-16)9(11)4-8/h2-4,6,16H,5H2,1H3,(H,13,17)/t6-/m0/s1.
What are the key properties of (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide?
(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 238.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 167283529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).