2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide

C12H15ClFNO — CID 166429853

IUPAC2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(CCF)C(=O)CCl)cc1
InChIInChI=1S/C12H15ClFNO/c1-10-2-4-11(5-3-10)9-15(7-6-14)12(16)8-13/h2-5H,6-9H2,1H3
InChIKeyVUONSRDKUGPEKF-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide

2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 166429853) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID166429853
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(CCF)C(=O)CCl)cc1
InChIInChI=1S/C12H15ClFNO/c1-10-2-4-11(5-3-10)9-15(7-6-14)12(16)8-13/h2-5H,6-9H2,1H3
InChIKeyVUONSRDKUGPEKF-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.53
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-chloroethyl)-N-[(4-methylphenyl)methyl]-4-oxopentanamide
CID 171508642
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]-4-oxopentanamide;ethane
CID 171508641
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
CID 39418874
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 39437129
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
CID 166423753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide (CID 166429853) is 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(CCF)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VUONSRDKUGPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-10-2-4-11(5-3-10)9-15(7-6-14)12(16)8-13/h2-5H,6-9H2,1H3.
What are the key properties of 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide?
2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 243.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoroethyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166429853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).