3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide

C15H21FN2O — CID 54934632

IUPAC3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-18(2)14(19)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,15,17H,3-4,9-10H2,1-2H3
InChIKeyHWADOWKUSNURLZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds6

About 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide

3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide (PubChem CID 54934632) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
PubChem CID54934632
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-18(2)14(19)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,15,17H,3-4,9-10H2,1-2H3
InChIKeyHWADOWKUSNURLZ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide (CID 54934632) is 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide?
The InChIKey is HWADOWKUSNURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-18(2)14(19)9-10-17-15(11-3-4-11)12-5-7-13(16)8-6-12/h5-8,11,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide?
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54934632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).