2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide

C12H13ClFNO — CID 166418624

IUPAC2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
SMILESO=C(CCl)NC1(Cc2cccc(F)c2)CC1
InChIInChI=1S/C12H13ClFNO/c13-8-11(16)15-12(4-5-12)7-9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeyNJCQOGSMBMRXHE-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide

2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide (PubChem CID 166418624) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
PubChem CID166418624
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
SMILESO=C(CCl)NC1(Cc2cccc(F)c2)CC1
InChIInChI=1S/C12H13ClFNO/c13-8-11(16)15-12(4-5-12)7-9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeyNJCQOGSMBMRXHE-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.26
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

2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317834
5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
CID 139008423
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
4-[[[1-[(3-fluorophenyl)methyl]cyclobutyl]amino]methyl]benzoic acid
CID 122033086
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
4-[[4-[(3-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024702
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
2-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-5-methyltriazole-4-carboxamide
CID 138996708
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide?
The IUPAC name of 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide (CID 166418624) is 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide is O=C(CCl)NC1(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide?
The InChIKey is NJCQOGSMBMRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-8-11(16)15-12(4-5-12)7-9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16).
What are the key properties of 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide?
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide has a molecular weight of 241.69 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide is sourced from PubChem (CID 166418624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).