2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide

C13H15ClFNO — CID 166407663

IUPAC2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1cccc(F)c1)C1CCC1
InChIInChI=1S/C13H15ClFNO/c14-8-13(17)16(12-5-2-6-12)9-10-3-1-4-11(15)7-10/h1,3-4,7,12H,2,5-6,8-9H2
InChIKeyUOAQZZOBJFBVGT-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide

2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 166407663) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID166407663
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1cccc(F)c1)C1CCC1
InChIInChI=1S/C13H15ClFNO/c14-8-13(17)16(12-5-2-6-12)9-10-3-1-4-11(15)7-10/h1,3-4,7,12H,2,5-6,8-9H2
InChIKeyUOAQZZOBJFBVGT-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide (CID 166407663) is 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide is O=C(CCl)N(Cc1cccc(F)c1)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is UOAQZZOBJFBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-8-13(17)16(12-5-2-6-12)9-10-3-1-4-11(15)7-10/h1,3-4,7,12H,2,5-6,8-9H2.
What are the key properties of 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide?
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 255.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 166407663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).