N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane

C15H24FNO2 — CID 144669442

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane
SMILESCCCC(C)C.COc1cc(CNC=O)ccc1F
InChIInChI=1S/C9H10FNO2.C6H14/c1-13-9-4-7(5-11-6-12)2-3-8(9)10;1-4-5-6(2)3/h2-4,6H,5H2,1H3,(H,11,12);6H,4-5H2,1-3H3
InChIKeySCQQQOCSXITMCC-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.52
Rot. Bonds6

About N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane

N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane (PubChem CID 144669442) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane
PubChem CID144669442
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane
SMILESCCCC(C)C.COc1cc(CNC=O)ccc1F
InChIInChI=1S/C9H10FNO2.C6H14/c1-13-9-4-7(5-11-6-12)2-3-8(9)10;1-4-5-6(2)3/h2-4,6H,5H2,1H3,(H,11,12);6H,4-5H2,1-3H3
InChIKeySCQQQOCSXITMCC-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(diaminomethylidene)-2-(4-fluoro-3-methoxyphenyl)acetamide;N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;propylcyclohexane
CID 144669611
2-[(4-fluoro-3-methoxyphenyl)methyl]butanal
CID 83834776
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
CID 171538109
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
ethyl 2-[2-fluoro-4-(formamidomethyl)anilino]-3-methylbutanoate
CID 143723971
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane (CID 144669442) is N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane is CCCC(C)C.COc1cc(CNC=O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane?
The InChIKey is SCQQQOCSXITMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.C6H14/c1-13-9-4-7(5-11-6-12)2-3-8(9)10;1-4-5-6(2)3/h2-4,6H,5H2,1H3,(H,11,12);6H,4-5H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane?
N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane has a molecular weight of 269.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]formamide;2-methylpentane is sourced from PubChem (CID 144669442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).