N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide

C15H20FNO — CID 110479509

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
SMILESCCCCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO/c1-2-3-7-14(18)17-11-15(8-9-15)12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3,(H,17,18)
InChIKeyAKSSQHAZLRKVKJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.16
Rot. Bonds6

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide (PubChem CID 110479509) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
PubChem CID110479509
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
SMILESCCCCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO/c1-2-3-7-14(18)17-11-15(8-9-15)12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3,(H,17,18)
InChIKeyAKSSQHAZLRKVKJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
1-butyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111638536
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
1-butyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 111638535
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111638687
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]octanamide
CID 60535695
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide (CID 110479509) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide is CCCCC(=O)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide?
The InChIKey is AKSSQHAZLRKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-3-7-14(18)17-11-15(8-9-15)12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3,(H,17,18).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide has a molecular weight of 249.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide is sourced from PubChem (CID 110479509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).