N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide

C16H21BrFNO2 — CID 123337325

IUPACN-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCOc1cc(Br)cc(F)c1N(C(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C16H21BrFNO2/c1-16(2,3)15(20)19(11-6-5-7-11)14-12(18)8-10(17)9-13(14)21-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRBUBSGMQUIIINW-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.53
Rot. Bonds3

About N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide

N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide (PubChem CID 123337325) has the molecular formula C16H21BrFNO2 and a molecular weight of 358.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide
PubChem CID123337325
Molecular FormulaC16H21BrFNO2
Molecular Weight358.25 g/mol
Exact Mass357.07
IUPAC NameN-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCOc1cc(Br)cc(F)c1N(C(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C16H21BrFNO2/c1-16(2,3)15(20)19(11-6-5-7-11)14-12(18)8-10(17)9-13(14)21-4/h8-9,11H,5-7H2,1-4H3
InChIKeyRBUBSGMQUIIINW-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide?
The IUPAC name of N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide (CID 123337325) is N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide is COc1cc(Br)cc(F)c1N(C(=O)C(C)(C)C)C1CCC1.
What is the InChIKey of N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide?
The InChIKey is RBUBSGMQUIIINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO2/c1-16(2,3)15(20)19(11-6-5-7-11)14-12(18)8-10(17)9-13(14)21-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide?
N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide has a molecular weight of 358.25 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide is sourced from PubChem (CID 123337325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).