2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide

C16H21ClFNO2 — CID 100564682

IUPAC2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NCCCOC1CCCC1
InChIInChI=1S/C16H21ClFNO2/c17-13-7-6-12(15(18)11-13)10-16(20)19-8-3-9-21-14-4-1-2-5-14/h6-7,11,14H,1-5,8-10H2,(H,19,20)
InChIKeyMHGYEGZJRDMTST-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide

2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide (PubChem CID 100564682) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
PubChem CID100564682
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NCCCOC1CCCC1
InChIInChI=1S/C16H21ClFNO2/c17-13-7-6-12(15(18)11-13)10-16(20)19-8-3-9-21-14-4-1-2-5-14/h6-7,11,14H,1-5,8-10H2,(H,19,20)
InChIKeyMHGYEGZJRDMTST-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29495039
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide (CID 100564682) is 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide is O=C(Cc1ccc(Cl)cc1F)NCCCOC1CCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide?
The InChIKey is MHGYEGZJRDMTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c17-13-7-6-12(15(18)11-13)10-16(20)19-8-3-9-21-14-4-1-2-5-14/h6-7,11,14H,1-5,8-10H2,(H,19,20).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide?
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide has a molecular weight of 313.80 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide is sourced from PubChem (CID 100564682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).