N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide

C13H19FN2O — CID 60852513

IUPACN-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(2)15-8-7-13(17)16-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPHPLBVDBVDFZSP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852513) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852513
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(2)15-8-7-13(17)16-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyPHPLBVDBVDFZSP-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
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N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
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1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide (CID 60852513) is N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is PHPLBVDBVDFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(2)15-8-7-13(17)16-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 238.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).