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

C15H21ClFNO — CID 106287581

IUPACN-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
SMILESCCC(CC)C(Cl)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21ClFNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyKPDFOQDVVHYHMI-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.53
Rot. Bonds7

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

N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide (PubChem CID 106287581) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
PubChem CID106287581
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
SMILESCCC(CC)C(Cl)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21ClFNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyKPDFOQDVVHYHMI-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
CID 47141193
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106288520
N-(2-amino-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106286035
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide (CID 106287581) is N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide is CCC(CC)C(Cl)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is KPDFOQDVVHYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-5-7-13(17)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide?
N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 285.79 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 106287581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).