2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide

C17H25FN2O — CID 43792190

IUPAC2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-11(2)10-15(17(21)19-3)20-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,20H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyHZXAMEGMGGTEQU-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.03
Rot. Bonds7

About 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide

2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide (PubChem CID 43792190) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
PubChem CID43792190
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-11(2)10-15(17(21)19-3)20-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,20H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyHZXAMEGMGGTEQU-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
CID 43782293
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
CID 63067468
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide (CID 43792190) is 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide?
The InChIKey is HZXAMEGMGGTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-11(2)10-15(17(21)19-3)20-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,20H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide?
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide has a molecular weight of 292.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43792190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).