6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide

C16H25FN2O — CID 65292863

IUPAC6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
SMILESCc1ccc(CNC(=O)C(C)CCCC(C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-7-8-14(9-15(11)17)10-19-16(20)12(2)5-4-6-13(3)18/h7-9,12-13H,4-6,10,18H2,1-3H3,(H,19,20)
InChIKeyGIUNXWBWGVDKGE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.90
Rot. Bonds7

About 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide

6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide (PubChem CID 65292863) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
PubChem CID65292863
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
SMILESCc1ccc(CNC(=O)C(C)CCCC(C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-7-8-14(9-15(11)17)10-19-16(20)12(2)5-4-6-13(3)18/h7-9,12-13H,4-6,10,18H2,1-3H3,(H,19,20)
InChIKeyGIUNXWBWGVDKGE-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 76893522
2,4-dibromo-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 118207534
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 65291508
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanamide
CID 80545171

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide (CID 65292863) is 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide is Cc1ccc(CNC(=O)C(C)CCCC(C)N)cc1F.
What is the InChIKey of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide?
The InChIKey is GIUNXWBWGVDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-7-8-14(9-15(11)17)10-19-16(20)12(2)5-4-6-13(3)18/h7-9,12-13H,4-6,10,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide?
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide has a molecular weight of 280.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide is sourced from PubChem (CID 65292863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).