N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide

C15H22FNO3 — CID 118251690

IUPACN-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCOc1cc(CC(NC=O)C(C)C)ccc1F
InChIInChI=1S/C15H22FNO3/c1-11(2)14(17-10-18)8-12-4-5-13(16)15(9-12)20-7-6-19-3/h4-5,9-11,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyFZFJGJVEKCBCOD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.16
Rot. Bonds9

About N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide

N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide (PubChem CID 118251690) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
PubChem CID118251690
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide
SMILESCOCCOc1cc(CC(NC=O)C(C)C)ccc1F
InChIInChI=1S/C15H22FNO3/c1-11(2)14(17-10-18)8-12-4-5-13(16)15(9-12)20-7-6-19-3/h4-5,9-11,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyFZFJGJVEKCBCOD-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-butanoyl-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]formamide
CID 159401337
N-[1-[3-(3-methoxypropoxy)-4-(4,4,4-trifluorobutanoyl)phenyl]-3-methylbutan-2-yl]formamide
CID 138673063
N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
CID 169323286
(2S)-1-[4-fluoro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-amine
CID 125466344
[1-[4-chloro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]urea
CID 123935421
N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide
CID 125472970
N-[1-(3-bromo-4-methylphenyl)-3-methylbutan-2-yl]formamide;carbon dioxide
CID 160711401
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
CID 69172594
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
CID 71993281
2-[(4-fluoro-3-methoxyphenyl)methyl]butanal
CID 83834776

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The IUPAC name of N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide (CID 118251690) is N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The canonical SMILES for N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide is COCCOc1cc(CC(NC=O)C(C)C)ccc1F.
What is the InChIKey of N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
The InChIKey is FZFJGJVEKCBCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(2)14(17-10-18)8-12-4-5-13(16)15(9-12)20-7-6-19-3/h4-5,9-11,14H,6-8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide?
N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide has a molecular weight of 283.34 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-3-methylbutan-2-yl]formamide is sourced from PubChem (CID 118251690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).