2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide

C17H17ClFNO — CID 39437129

IUPAC2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(Cc2ccc(F)cc2)C(=O)CCl)c1
InChIInChI=1S/C17H17ClFNO/c1-12-7-13(2)9-16(8-12)20(17(21)10-18)11-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3
InChIKeyGCMOQMLIZMKVSO-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide

2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 39437129) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID39437129
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(Cc2ccc(F)cc2)C(=O)CCl)c1
InChIInChI=1S/C17H17ClFNO/c1-12-7-13(2)9-16(8-12)20(17(21)10-18)11-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3
InChIKeyGCMOQMLIZMKVSO-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 39437129) is 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)cc(N(Cc2ccc(F)cc2)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GCMOQMLIZMKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-12-7-13(2)9-16(8-12)20(17(21)10-18)11-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 305.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 39437129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).