2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide

C13H17ClFNO — CID 94692059

IUPAC2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCc1ccc(F)cc1)NC(=O)CCl
InChIInChI=1S/C13H17ClFNO/c1-13(2,16-12(17)9-14)8-7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyYPEGUCDJUFROOJ-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.89
Rot. Bonds5

About 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide

2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide (PubChem CID 94692059) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
PubChem CID94692059
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCc1ccc(F)cc1)NC(=O)CCl
InChIInChI=1S/C13H17ClFNO/c1-13(2,16-12(17)9-14)8-7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyYPEGUCDJUFROOJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.89
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

2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
CID 94698283
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
CID 84730989
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide (CID 94692059) is 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide is CC(C)(CCc1ccc(F)cc1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide?
The InChIKey is YPEGUCDJUFROOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-13(2,16-12(17)9-14)8-7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide?
2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide has a molecular weight of 257.74 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 94692059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).