N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide

C16H17FN2O — CID 105060344

IUPACN-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
SMILESCC(CN)(NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-16(11-18,13-7-3-2-4-8-13)19-15(20)12-6-5-9-14(17)10-12/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyFZXRKUJERPWUAN-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.43
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide

N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide (PubChem CID 105060344) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
PubChem CID105060344
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
SMILESCC(CN)(NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-16(11-18,13-7-3-2-4-8-13)19-15(20)12-6-5-9-14(17)10-12/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyFZXRKUJERPWUAN-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
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N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
3-N-(1-methoxy-2-phenylpropan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71860822
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide (CID 105060344) is N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide is CC(CN)(NC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide?
The InChIKey is FZXRKUJERPWUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-16(11-18,13-7-3-2-4-8-13)19-15(20)12-6-5-9-14(17)10-12/h2-10H,11,18H2,1H3,(H,19,20).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide?
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 105060344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).