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

C17H25FN2O — CID 60926634

IUPAC3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-3-20(4-2)16(21)11-12-19-17(13-5-6-13)14-7-9-15(18)10-8-14/h7-10,13,17,19H,3-6,11-12H2,1-2H3
InChIKeyMLBCNGYPBHVWFB-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds8

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

3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide (PubChem CID 60926634) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
PubChem CID60926634
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H25FN2O/c1-3-20(4-2)16(21)11-12-19-17(13-5-6-13)14-7-9-15(18)10-8-14/h7-10,13,17,19H,3-6,11-12H2,1-2H3
InChIKeyMLBCNGYPBHVWFB-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
CID 112516955
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide (CID 60926634) is 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide?
The InChIKey is MLBCNGYPBHVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-20(4-2)16(21)11-12-19-17(13-5-6-13)14-7-9-15(18)10-8-14/h7-10,13,17,19H,3-6,11-12H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide?
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 3.12, 8 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-diethylpropanamide is sourced from PubChem (CID 60926634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).