3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide

C16H23FN2O — CID 79357949

IUPAC3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
SMILESCC1(C)C(CNCc2ccc(C(N)=O)cc2F)C1(C)C
InChIInChI=1S/C16H23FN2O/c1-15(2)13(16(15,3)4)9-19-8-11-6-5-10(14(18)20)7-12(11)17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20)
InChIKeyONYDHADPABPGKK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.70
Rot. Bonds5

About 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide

3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide (PubChem CID 79357949) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
PubChem CID79357949
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
SMILESCC1(C)C(CNCc2ccc(C(N)=O)cc2F)C1(C)C
InChIInChI=1S/C16H23FN2O/c1-15(2)13(16(15,3)4)9-19-8-11-6-5-10(14(18)20)7-12(11)17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20)
InChIKeyONYDHADPABPGKK-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352064
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]benzamide
CID 106310179
3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
CID 43567385
3-fluoro-4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]benzamide
CID 79552109
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide (CID 79357949) is 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide is CC1(C)C(CNCc2ccc(C(N)=O)cc2F)C1(C)C.
What is the InChIKey of 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The InChIKey is ONYDHADPABPGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-15(2)13(16(15,3)4)9-19-8-11-6-5-10(14(18)20)7-12(11)17/h5-7,13,19H,8-9H2,1-4H3,(H2,18,20).
What are the key properties of 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide has a molecular weight of 278.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide is sourced from PubChem (CID 79357949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).