N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide

C16H16F2N2O — CID 63754320

IUPACN-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c17-12-6-7-14(15(18)9-12)16(21)20-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10,19H2,(H,20,21)
InChIKeyXRPOLVSFHRSRSE-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.26
Rot. Bonds5

About N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide

N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide (PubChem CID 63754320) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
PubChem CID63754320
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c17-12-6-7-14(15(18)9-12)16(21)20-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10,19H2,(H,20,21)
InChIKeyXRPOLVSFHRSRSE-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
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N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
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N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
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N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
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5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
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4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide (CID 63754320) is N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide is NCC(Cc1ccccc1)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide?
The InChIKey is XRPOLVSFHRSRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-6-7-14(15(18)9-12)16(21)20-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10,19H2,(H,20,21).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide?
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 63754320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).