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

C25H27FN2O2 — CID 56514413

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C25H27FN2O2/c26-23-15-8-7-14-22(23)18-27-24(30)19-28(16-9-17-29)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,25,29H,9,16-19H2,(H,27,30)
InChIKeyATTDOBLSHXPJNM-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.92
Rot. Bonds10

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

2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 56514413) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID56514413
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C25H27FN2O2/c26-23-15-8-7-14-22(23)18-27-24(30)19-28(16-9-17-29)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,25,29H,9,16-19H2,(H,27,30)
InChIKeyATTDOBLSHXPJNM-UHFFFAOYSA-N
XLogP3.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 75878457
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
methyl 4-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]benzoate
CID 56513890
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 56514413) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN(CCCO)C(c1ccccc1)c1ccccc1)NCc1ccccc1F.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ATTDOBLSHXPJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c26-23-15-8-7-14-22(23)18-27-24(30)19-28(16-9-17-29)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,25,29H,9,16-19H2,(H,27,30).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 56514413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).