N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide

C15H23FN2O — CID 81380845

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)17-10-6-9-15(19)18-12(3)13-7-4-5-8-14(13)16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyYAPIADJLSQUWRG-GFCCVEGCSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds7

About N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide

N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 81380845) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID81380845
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)17-10-6-9-15(19)18-12(3)13-7-4-5-8-14(13)16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyYAPIADJLSQUWRG-GFCCVEGCSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
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

4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 81380473
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
N-[1-(2,3-difluorophenyl)ethyl]pentanamide
CID 141128931
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide (CID 81380845) is N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is YAPIADJLSQUWRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)17-10-6-9-15(19)18-12(3)13-7-4-5-8-14(13)16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 266.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 81380845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).