N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide

C13H15ClFNO — CID 115455987

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1(CCl)CC1
InChIInChI=1S/C13H15ClFNO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyOJBXVCOYYQZFRD-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 115455987) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID115455987
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1(CCl)CC1
InChIInChI=1S/C13H15ClFNO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyOJBXVCOYYQZFRD-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 71915475
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
2-(4-fluorophenyl)-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]acetamide
CID 146074781
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide (CID 115455987) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OJBXVCOYYQZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 255.72 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 115455987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).