N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide

C15H22F2N2O — CID 60850443

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(2)18-8-4-5-15(20)19-11(3)12-6-7-13(16)14(17)9-12/h6-7,9-11,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyGAXGBYZZYQUSGF-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.92
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide

N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60850443) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID60850443
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(2)18-8-4-5-15(20)19-11(3)12-6-7-13(16)14(17)9-12/h6-7,9-11,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyGAXGBYZZYQUSGF-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.92
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-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-4-(4-nitroanilino)butanamide
CID 51211735
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 78778582
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide (CID 60850443) is N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is GAXGBYZZYQUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(2)18-8-4-5-15(20)19-11(3)12-6-7-13(16)14(17)9-12/h6-7,9-11,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide?
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 284.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).