N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide

C14H17ClFNO — CID 114296854

IUPACN-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCC(Cl)CC1
InChIInChI=1S/C14H17ClFNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyZVRYCSDIJPKTPW-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.03
Rot. Bonds3

About N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide

N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide (PubChem CID 114296854) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
PubChem CID114296854
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCC(Cl)CC1
InChIInChI=1S/C14H17ClFNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyZVRYCSDIJPKTPW-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide (CID 114296854) is N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NC1CCC(Cl)CC1.
What is the InChIKey of N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is ZVRYCSDIJPKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18).
What are the key properties of N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide?
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 269.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 114296854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).