N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide

C14H21FN2O — CID 95167816

IUPACN-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
SMILESCC[C@@H](C)N(C)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyIIEMPGUOBQNEEN-LLVKDONJSA-N
MW252.33 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide

N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide (PubChem CID 95167816) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
PubChem CID95167816
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
SMILESCC[C@@H](C)N(C)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyIIEMPGUOBQNEEN-LLVKDONJSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide (CID 95167816) is N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide is CC[C@@H](C)N(C)CCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide?
The InChIKey is IIEMPGUOBQNEEN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-11(2)17(3)9-8-16-14(18)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide?
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 95167816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).