2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride

C10H14ClFN2O2 — CID 70099503

IUPAC2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc(F)ccc1C[C@H](N)CO
InChIInChI=1S/C10H13FN2O2.ClH/c11-7-2-1-6(3-8(12)5-14)9(4-7)10(13)15;/h1-2,4,8,14H,3,5,12H2,(H2,13,15);1H/t8-;/m0./s1
InChIKeyRYJQRXWJNFEGBA-QRPNPIFTSA-N
MW248.69 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride

2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride (PubChem CID 70099503) has the molecular formula C10H14ClFN2O2 and a molecular weight of 248.69 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
PubChem CID70099503
Molecular FormulaC10H14ClFN2O2
Molecular Weight248.69 g/mol
Exact Mass248.07
IUPAC Name2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc(F)ccc1C[C@H](N)CO
InChIInChI=1S/C10H13FN2O2.ClH/c11-7-2-1-6(3-8(12)5-14)9(4-7)10(13)15;/h1-2,4,8,14H,3,5,12H2,(H2,13,15);1H/t8-;/m0./s1
InChIKeyRYJQRXWJNFEGBA-QRPNPIFTSA-N
XLogP0.21
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride?
The IUPAC name of 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride (CID 70099503) is 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride is Cl.NC(=O)c1cc(F)ccc1C[C@H](N)CO.
What is the InChIKey of 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride?
The InChIKey is RYJQRXWJNFEGBA-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H13FN2O2.ClH/c11-7-2-1-6(3-8(12)5-14)9(4-7)10(13)15;/h1-2,4,8,14H,3,5,12H2,(H2,13,15);1H/t8-;/m0./s1.
What are the key properties of 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride?
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride has a molecular weight of 248.69 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 70099503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).