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

C14H21FN2O — CID 60851811

IUPACN-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-11(2)16-9-5-8-14(18)17-10-12-6-3-4-7-13(12)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyJHTBFEMGDLMNFD-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.22
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60851811) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID60851811
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-11(2)16-9-5-8-14(18)17-10-12-6-3-4-7-13(12)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyJHTBFEMGDLMNFD-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
N-[(2-methyl-3-nitrophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 103109430
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide (CID 60851811) is N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is JHTBFEMGDLMNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)16-9-5-8-14(18)17-10-12-6-3-4-7-13(12)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60851811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).