2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

C15H19ClFNO — CID 7130806

IUPAC2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2
InChIKeyNAQMTZNBMPZGQY-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7130806) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7130806
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2
InChIKeyNAQMTZNBMPZGQY-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.73
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-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (CID 7130806) is 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(CCl)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NAQMTZNBMPZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2.
What are the key properties of 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 283.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7130806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).