N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide

C19H21ClFNO2 — CID 86788796

IUPACN-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(CCCCCC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-24-15-12-10-14(11-13-15)6-3-2-4-9-18(23)22-19-16(20)7-5-8-17(19)21/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,22,23)
InChIKeyFPAIARUQPJAGOO-UHFFFAOYSA-N
MW349.83 g/mol
LogP5.23
Rot. Bonds8

About N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide

N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide (PubChem CID 86788796) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
PubChem CID86788796
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC NameN-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(CCCCCC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-24-15-12-10-14(11-13-15)6-3-2-4-9-18(23)22-19-16(20)7-5-8-17(19)21/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,22,23)
InChIKeyFPAIARUQPJAGOO-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide 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

N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
1-(2,6-difluorophenyl)-3-[3-(4-methoxyphenyl)propyl]thiourea
CID 100677572
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
CID 110615569
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide (CID 86788796) is N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide is COc1ccc(CCCCCC(=O)Nc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide?
The InChIKey is FPAIARUQPJAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-24-15-12-10-14(11-13-15)6-3-2-4-9-18(23)22-19-16(20)7-5-8-17(19)21/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,22,23).
What are the key properties of N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide?
N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide has a molecular weight of 349.83 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 86788796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).