N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride

C13H18ClFN2O — CID 119731211

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-15-8-12(17)16-9-13(6-7-13)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,17);1H
InChIKeyMZDNGOMQRLBRLX-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119731211) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119731211
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-15-8-12(17)16-9-13(6-7-13)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,17);1H
InChIKeyMZDNGOMQRLBRLX-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
CID 110477965

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride (CID 119731211) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC1(c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is MZDNGOMQRLBRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-15-8-12(17)16-9-13(6-7-13)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,17);1H.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119731211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).