N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide

C14H19ClFNO — CID 114304696

IUPACN-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCC(CC)(CCl)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19ClFNO/c1-3-14(4-2,10-15)17-13(18)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeySXVVLLRMCVREEE-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.28
Rot. Bonds6

About N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide

N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 114304696) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID114304696
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCC(CC)(CCl)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19ClFNO/c1-3-14(4-2,10-15)17-13(18)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeySXVVLLRMCVREEE-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.28
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-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031119
N-[3-(chloromethyl)pentan-3-yl]-4-fluoro-2-methylbenzamide
CID 113400388
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
CID 107867586
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 107867609
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide (CID 114304696) is N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide is CCC(CC)(CCl)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SXVVLLRMCVREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-14(4-2,10-15)17-13(18)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide?
N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 271.76 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 114304696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).