N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide

C16H23FN2O — CID 43767716

IUPACN-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)16(20)19-10-9-18-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyBHPGKODJAHZPMK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide

N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide (PubChem CID 43767716) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
PubChem CID43767716
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)16(20)19-10-9-18-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyBHPGKODJAHZPMK-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.64
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-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide (CID 43767716) is N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is BHPGKODJAHZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)16(20)19-10-9-18-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,18H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 278.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43767716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).