N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide

C18H21FN2O2 — CID 50962714

IUPACN-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide
SMILESCc1ccc(F)c(NC(=O)CCN[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C18H21FN2O2/c1-13-7-8-15(19)16(11-13)21-18(23)9-10-20-17(12-22)14-5-3-2-4-6-14/h2-8,11,17,20,22H,9-10,12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeySTXMMUWIZMTKHH-KRWDZBQOSA-N
MW316.38 g/mol
LogP2.79
Rot. Bonds7

About N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide

N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide (PubChem CID 50962714) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide
PubChem CID50962714
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide
SMILESCc1ccc(F)c(NC(=O)CCN[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C18H21FN2O2/c1-13-7-8-15(19)16(11-13)21-18(23)9-10-20-17(12-22)14-5-3-2-4-6-14/h2-8,11,17,20,22H,9-10,12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeySTXMMUWIZMTKHH-KRWDZBQOSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide (CID 50962714) is N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide is Cc1ccc(F)c(NC(=O)CCN[C@@H](CO)c2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide?
The InChIKey is STXMMUWIZMTKHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-7-8-15(19)16(11-13)21-18(23)9-10-20-17(12-22)14-5-3-2-4-6-14/h2-8,11,17,20,22H,9-10,12H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide?
N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 50962714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).