N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide

C10H12FNO3 — CID 171538109

IUPACN-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
SMILESCOc1cc(OC)c(CNC=O)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-9-4-10(15-2)8(11)3-7(9)5-12-6-13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyOBDSBGXTSMWBNN-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.09
Rot. Bonds5

About N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide

N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide (PubChem CID 171538109) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
PubChem CID171538109
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC NameN-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
SMILESCOc1cc(OC)c(CNC=O)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-9-4-10(15-2)8(11)3-7(9)5-12-6-13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyOBDSBGXTSMWBNN-UHFFFAOYSA-N
XLogP1.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.09
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-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282
N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane
CID 144669442
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205877
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
CID 69390230
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide?
The IUPAC name of N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide (CID 171538109) is N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide.
What is the SMILES notation for N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide?
The canonical SMILES for N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide is COc1cc(OC)c(CNC=O)cc1F.
What is the InChIKey of N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide?
The InChIKey is OBDSBGXTSMWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-9-4-10(15-2)8(11)3-7(9)5-12-6-13/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide?
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide has a molecular weight of 213.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide is sourced from PubChem (CID 171538109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).