2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide

C14H19ClFNO — CID 67968202

IUPAC2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1C
InChIInChI=1S/C14H19ClFNO/c1-5-14(3,4)17-12(18)8-10-6-7-11(15)13(16)9(10)2/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyVVAUPJFZJIXINR-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide

2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 67968202) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID67968202
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1C
InChIInChI=1S/C14H19ClFNO/c1-5-14(3,4)17-12(18)8-10-6-7-11(15)13(16)9(10)2/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyVVAUPJFZJIXINR-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
8-chloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 10466539
N-tert-butyl-2-(3,4-dichlorophenyl)acetamide
CID 2171626
N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 841915
(S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide
CID 46226107
N-butyl-2-(4-chlorophenyl)acetamide
CID 2164377
N-t-Butyl-4-chloro-2-fluorobenzamide
CID 10130797
N-(2-(4-Chlorophenyl)-1,1-dimethylethyl)acetamide
CID 87279
N-tert-butyl-2-(2-chlorophenyl)acetamide
CID 841916
(2R,3S)-N-tert-butyl-3-(4-chlorophenyl)-2,3-difluoro-2-methylpropanamide
CID 176438914
(2S)-N-tert-butyl-2-(4-chlorophenyl)-3,3-difluoro-2-methylpropanamide
CID 176438915
N-tert-butyl-4-chloro-2-(fluoromethyl)benzamide
CID 177853155

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide (CID 67968202) is 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1C.
What is the InChIKey of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is VVAUPJFZJIXINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-5-14(3,4)17-12(18)8-10-6-7-11(15)13(16)9(10)2/h6-7H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 271.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 67968202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).