N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide

C12H15ClFNO — CID 63393863

IUPACN-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
SMILESCC(Cl)CN(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H15ClFNO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyWKWHYMVVFMMPRZ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.45
Rot. Bonds4

About N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide

N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide (PubChem CID 63393863) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
PubChem CID63393863
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
SMILESCC(Cl)CN(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H15ClFNO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyWKWHYMVVFMMPRZ-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.45
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

N-(2-bromo-3-methoxypropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 80671768
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
CID 62821222
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
CID 43328957
2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
CID 54538420
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide (CID 63393863) is N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide is CC(Cl)CN(C)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide?
The InChIKey is WKWHYMVVFMMPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide?
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide has a molecular weight of 243.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 63393863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).