N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide

C10H11FN2O3 — CID 176555769

IUPACN-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide
SMILESO=CNCC(=O)Nc1ccc(CO)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-9-3-8(2-1-7(9)5-14)13-10(16)4-12-6-15/h1-3,6,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyYSLUAQHHINFYQZ-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.00
Rot. Bonds5

About N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide

N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide (PubChem CID 176555769) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide
PubChem CID176555769
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC NameN-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide
SMILESO=CNCC(=O)Nc1ccc(CO)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-9-3-8(2-1-7(9)5-14)13-10(16)4-12-6-15/h1-3,6,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyYSLUAQHHINFYQZ-UHFFFAOYSA-N
XLogP0.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-methylbutan-2-yl)carbamate;N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide
CID 176555768
2-formamido-N-[4-(methylamino)phenyl]acetamide
CID 178056431
(2-fluoro-4-hydrazinylphenyl)methanol
CID 118807730
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
CID 167283529

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide?
The IUPAC name of N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide (CID 176555769) is N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide.
What is the SMILES notation for N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide?
The canonical SMILES for N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide is O=CNCC(=O)Nc1ccc(CO)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide?
The InChIKey is YSLUAQHHINFYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-9-3-8(2-1-7(9)5-14)13-10(16)4-12-6-15/h1-3,6,14H,4-5H2,(H,12,15)(H,13,16).
What are the key properties of N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide?
N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide has a molecular weight of 226.21 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(hydroxymethyl)phenyl]-2-formamidoacetamide is sourced from PubChem (CID 176555769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).