2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide

C13H16ClFN2O — CID 166265170

IUPAC2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC1(Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c1-17(9-13(14)5-6-13)8-12(18)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyHPFUWXVJLHZQFB-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.47
Rot. Bonds5

About 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide

2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 166265170) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID166265170
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC1(Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c1-17(9-13(14)5-6-13)8-12(18)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyHPFUWXVJLHZQFB-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676287
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 166265170) is 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)CC1(Cl)CC1.
What is the InChIKey of 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is HPFUWXVJLHZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-17(9-13(14)5-6-13)8-12(18)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 270.73 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 166265170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).