N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide

C10H10FNO3 — CID 84781458

IUPACN-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(NC(C)=O)cc1C=O
InChIInChI=1S/C10H10FNO3/c1-6(14)12-8-3-7(5-13)10(15-2)9(11)4-8/h3-5H,1-2H3,(H,12,14)
InChIKeyLVSFSWOLWCOEBN-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.61
Rot. Bonds3

About N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide

N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide (PubChem CID 84781458) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
PubChem CID84781458
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC NameN-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(NC(C)=O)cc1C=O
InChIInChI=1S/C10H10FNO3/c1-6(14)12-8-3-7(5-13)10(15-2)9(11)4-8/h3-5H,1-2H3,(H,12,14)
InChIKeyLVSFSWOLWCOEBN-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 539751
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
CID 84777244
methyl 2-(5-fluoro-3-formyl-2-methoxyphenyl)acetate
CID 171010529
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide (CID 84781458) is N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide is COc1c(F)cc(NC(C)=O)cc1C=O.
What is the InChIKey of N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide?
The InChIKey is LVSFSWOLWCOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-6(14)12-8-3-7(5-13)10(15-2)9(11)4-8/h3-5H,1-2H3,(H,12,14).
What are the key properties of N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide?
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide has a molecular weight of 211.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide is sourced from PubChem (CID 84781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).