N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

C15H23FN2O2 — CID 62022576

IUPACN-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-12(2)18(8-5-9-19)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyOPVFXCNLRHTIIK-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.53
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 62022576) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID62022576
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-12(2)18(8-5-9-19)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyOPVFXCNLRHTIIK-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 56514413
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 62022001
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
N-[(4-chlorophenyl)methyl]-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692542

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (CID 62022576) is N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is CC(C)N(CCCO)CC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is OPVFXCNLRHTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-12(2)18(8-5-9-19)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62022576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).