4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide

C13H19FN2O2 — CID 119320083

IUPAC4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
SMILESCOCc1cc(CNC(=O)CCCN)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-9-11-7-10(4-5-12(11)14)8-16-13(17)3-2-6-15/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyOCCUXXCLXXWQDA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.33
Rot. Bonds7

About 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide

4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide (PubChem CID 119320083) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
PubChem CID119320083
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
SMILESCOCc1cc(CNC(=O)CCCN)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-9-11-7-10(4-5-12(11)14)8-16-13(17)3-2-6-15/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyOCCUXXCLXXWQDA-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 119777546
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119320067
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide (CID 119320083) is 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide is COCc1cc(CNC(=O)CCCN)ccc1F.
What is the InChIKey of 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide?
The InChIKey is OCCUXXCLXXWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-9-11-7-10(4-5-12(11)14)8-16-13(17)3-2-6-15/h4-5,7H,2-3,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide?
4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119320083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).