N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide

C13H16ClF2NO — CID 114303730

IUPACN-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESCCC(C)(CCl)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H16ClF2NO/c1-3-13(2,8-14)17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUFQBAIMVHOZCJR-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.03
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide

N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 114303730) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID114303730
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESCCC(C)(CCl)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H16ClF2NO/c1-3-13(2,8-14)17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUFQBAIMVHOZCJR-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.03
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-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
N-tert-butyl-3-phenylpropanamide
CID 966772
N-(2-chloroacetyl)-2-phenylacetamide
CID 3853256
N-tert-butyl-2-phenylacetamide
CID 246894
N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 841915
2-Chloro-2-(4-fluorophenyl)acetamide
CID 50989577
2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 2201618
N-tert-butyl-4-phenylbutanamide
CID 4360120
1-Chloro-1,4,4-trimethyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
CID 378699
2-chloro-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 163242318
N-tert-butyl-2-(2-chlorophenyl)acetamide
CID 841916
2-chloro-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 10977930

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide (CID 114303730) is N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide is CCC(C)(CCl)NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is UFQBAIMVHOZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-3-13(2,8-14)17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide?
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 275.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114303730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).