N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide

C17H19FN2O — CID 105060363

IUPACN-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2O/c1-12-10-13(8-9-15(12)18)16(21)20-17(2,11-19)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyDGUQURBUECECQT-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.74
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide

N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide (PubChem CID 105060363) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
PubChem CID105060363
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2O/c1-12-10-13(8-9-15(12)18)16(21)20-17(2,11-19)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyDGUQURBUECECQT-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084504
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994349
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide (CID 105060363) is N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(C)(CN)c2ccccc2)ccc1F.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide?
The InChIKey is DGUQURBUECECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-10-13(8-9-15(12)18)16(21)20-17(2,11-19)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide?
N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.74, 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)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 105060363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).