4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide

C16H25FN2O — CID 61469454

IUPAC4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
SMILESCC(C)CCCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C16H25FN2O/c1-11(2)5-4-6-12(3)19-10-14-9-13(16(18)20)7-8-15(14)17/h7-9,11-12,19H,4-6,10H2,1-3H3,(H2,18,20)
InChIKeyXAWPLTJQWYGJBY-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.23
Rot. Bonds8

About 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide

4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide (PubChem CID 61469454) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
PubChem CID61469454
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
SMILESCC(C)CCCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C16H25FN2O/c1-11(2)5-4-6-12(3)19-10-14-9-13(16(18)20)7-8-15(14)17/h7-9,11-12,19H,4-6,10H2,1-3H3,(H2,18,20)
InChIKeyXAWPLTJQWYGJBY-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
4-fluoro-3-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]benzoic acid
CID 107452710

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide (CID 61469454) is 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide is CC(C)CCCC(C)NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide?
The InChIKey is XAWPLTJQWYGJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(2)5-4-6-12(3)19-10-14-9-13(16(18)20)7-8-15(14)17/h7-9,11-12,19H,4-6,10H2,1-3H3,(H2,18,20).
What are the key properties of 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide?
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide has a molecular weight of 280.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 61469454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).