N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide

C14H19ClFNO — CID 114153124

IUPACN-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCCC(C)(CCCl)NC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-3-14(2,8-9-15)17-13(18)10-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyDMXVTBUBDYSINV-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.28
Rot. Bonds6

About N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide

N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 114153124) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
PubChem CID114153124
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCCC(C)(CCCl)NC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-3-14(2,8-9-15)17-13(18)10-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyDMXVTBUBDYSINV-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-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-chloro-3-methylpentan-3-yl)-2-naphthalen-2-ylacetamide
CID 106168408
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002590
N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
CID 106169006
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide (CID 114153124) is N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide is CCC(C)(CCCl)NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is DMXVTBUBDYSINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-14(2,8-9-15)17-13(18)10-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide?
N-(1-chloro-3-methylpentan-3-yl)-2-(2-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-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 114153124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).