N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide

C18H26FNO2 — CID 86994816

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H26FNO2/c1-14(2)22-12-9-17(21)20-13-18(10-3-4-11-18)15-5-7-16(19)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21)
InChIKeyBYRNCGLKGHDBOG-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.57
Rot. Bonds7

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide (PubChem CID 86994816) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
PubChem CID86994816
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H26FNO2/c1-14(2)22-12-9-17(21)20-13-18(10-3-4-11-18)15-5-7-16(19)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21)
InChIKeyBYRNCGLKGHDBOG-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51103580
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 87014302

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide (CID 86994816) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide?
The InChIKey is BYRNCGLKGHDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-14(2)22-12-9-17(21)20-13-18(10-3-4-11-18)15-5-7-16(19)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide has a molecular weight of 307.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86994816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).