2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride

C18H26ClFN2O — CID 119731159

IUPAC2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H25FN2O.ClH/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)13-21-17(22)12-20-11-14-3-4-14;/h5-8,14,20H,1-4,9-13H2,(H,21,22);1H
InChIKeyOVUZXBAAJXINCO-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.18
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119731159) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119731159
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H25FN2O.ClH/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)13-21-17(22)12-20-11-14-3-4-14;/h5-8,14,20H,1-4,9-13H2,(H,21,22);1H
InChIKeyOVUZXBAAJXINCO-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
1-(cyclopropylmethyl)-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine
CID 111868214
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride (CID 119731159) is 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is OVUZXBAAJXINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)13-21-17(22)12-20-11-14-3-4-14;/h5-8,14,20H,1-4,9-13H2,(H,21,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119731159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).